N-methylmethanaminium Chloride
fo-dfe32ae6c2abc1a4
Identity
- Type
- Chemical salt
- CAS
- 506-59-2
- EC
- 208-046-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
7- Dimethylamine hydrochloride
- Dimethylamine, hydrochloride
- Dimethylammonium chloride
- Methanamine, N-methyl-, hydrochloride
- Methanamine, N-methyl-, hydrochloride (1:1)
- N,N-Dimethylamine hydrochloride
- N-Methylmethanamine hydrochloride
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | IQDGSYLLQPDQDV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H |
| IUPAC name chemrof:IUPAC_name | N-methylmethanaminium Chloride |
| Molecular formula chemrof:molecular_formula | C2H8ClN |
| Molecular mass chemrof:molecular_mass | 81.546 |
| Monoisotopic mass chemrof:monoisotopic_mass | 81.034527 |
| SMILES string chemrof:smiles_string | C[NH2+]C.[Cl-] |
Known URLs
11Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=506-59-2 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.007.315 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8027163 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL569461 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7M4CWB6AOK | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.527.183C | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/10473 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12954980 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/22258629 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/521289 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27268559 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 867c371d-ae2b-48cf-9970-dec5952fd4a9 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 6e53bb91-ce30-4fcf-a8ab-2d3e8aff0d9e | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 26c9660a-98be-4dbb-bec7-8583954003f1 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| df4362e3-1d85-432a-9503-c8bc8b8a3edc | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4caad8f7-1261-4521-82a6-609b5eaa6218 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 845ab074-955e-499b-91c5-a60b5bb6a396 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 543462bf-f8cc-4e59-aa32-ef88a34b2c36 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 16ce9d62-d27a-420b-a338-d0470f192d97 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 0ff946b0-5524-4eaa-ad2d-7f07cd5351fc | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| e23b16a7-c3ab-42c2-bd9f-d918caa523b6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 9eb75d04-881b-4337-95aa-eb62db36c4de | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| b22d4776-bbe7-4990-8372-5d5459755e0d | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 0ff7fdff-3d96-4a21-bf8b-31ece2492697 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-dfe32ae6c2abc1a4",
"prefLabel": [
{
"@value": "N-methylmethanaminium Chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Dimethylamine hydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:506-59-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=506-59-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dimethylamine, hydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:506-59-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=506-59-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dimethylammonium chloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:506-59-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=506-59-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methanamine, N-methyl-, hydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:506-59-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=506-59-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methanamine, N-methyl-, hydrochloride (1:1)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:506-59-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=506-59-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Dimethylamine hydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:506-59-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=506-59-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-Methylmethanamine hydrochloride",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:506-59-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=506-59-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C2H8ClN"
],
"attested_by": {
"C2H8ClN": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10473",
"CID:521289",
"CID:12954980",
"CID:22258629"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[NH2+]C.[Cl-]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"IQDGSYLLQPDQDV-UHFFFAOYSA-N"
],
"attested_by": {
"IQDGSYLLQPDQDV-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10473",
"CID:521289",
"CID:12954980",
"CID:22258629"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[NH2+]C.[Cl-]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C[NH2+]C.[Cl-]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-methylmethanaminium Chloride"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[NH2+]C.[Cl-]"
]
}
],
"attested_by": {
"C[NH2+]C.[Cl-]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-methylmethanaminium Chloride"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[NH2+]C.[Cl-]"
]
}
],
"attested_by": {
"InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"N-methylmethanaminium Chloride"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-methylmethanaminium Chloride"
]
},
"attested_by": {
"N-methylmethanaminium Chloride": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
81.546
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC.Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[NH2+]C.[Cl-]"
]
}
],
"attested_by": {
"81.546": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
81.034527
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CNC.Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C[NH2+]C.[Cl-]"
]
}
],
"attested_by": {
"81.034527": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.527.183C",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12954980;CAS:506-59-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[506-59-2]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.007.315",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10473;CAS:506-59-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[506-59-2]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=506-59-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:521289;CAS:506-59-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[506-59-2]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID8027163",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10473;CAS:506-59-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[506-59-2]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7M4CWB6AOK",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10473;CAS:506-59-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[506-59-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/10473",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10473;CAS:506-59-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[506-59-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/12954980",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12954980;CAS:506-59-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[506-59-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/22258629",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:22258629;CAS:506-59-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[506-59-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/521289",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:521289;CAS:506-59-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[506-59-2]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL569461",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10473;CAS:506-59-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[506-59-2]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27268559",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10473;CAS:506-59-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[506-59-2]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0ff7fdff-3d96-4a21-bf8b-31ece2492697",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_ionic",
"reason": "",
"types": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"506-59-2"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=506-59-2"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=506-59-2"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"208-046-5"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=208-046-5"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/ChemicalSalt"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works