Sodium 2-(2-aminoethylamino)ethanesulfonate
fo-a793139fafc20cfb
Identity
- Type
- Chemical salt
- CAS
- 34730-59-1
- EC
- 252-173-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
15- 2-[(2-Aminoethyl)amino]ethanesulfonic acid sodium salt
- AAS
- Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, monosodium salt
- Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, sodium salt (1:1)
- Evonik A 95
- N-(2-Aminoethyl)-2-aminoethanesulfonic acid sodium salt
- N-(2-Sulfoethyl)ethylenediamine sodium salt
- Sodium 2-[(2-aminoethyl)amino]ethanesulfonate
- Sodium 2-[(2-aminoethyl)amino]ethanesulphonate
- Sodium 5-amino-3-azapentane-1-sulfonate
- Sodium N-(2-aminoethyl)-2-aminoethanesulfonate
- Sodium N-(2-aminoethyl)aminoethanesulfonate
- Steans 50
- Vestamin A 95
- W 01COBQV7243
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ROZLDLJVUNEAFL-UHFFFAOYSA-N, VRRABDXZDGRGPC-UHFFFAOYSA-M |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H12N2O3S.Na/c5-1-2-6-3-4-10(7,8)9;/h6H,1-5H2,(H,7,8,9);/q;+1/p-1 |
| IUPAC name chemrof:IUPAC_name | Sodium 2-(2-aminoethylamino)ethanesulfonate |
| Molecular formula chemrof:molecular_formula | C4H11N2NaO3S, C4H12N2NaO3S |
| SMILES string chemrof:smiles_string | NCCNCCS(=O)(=O)[O-].[Na+] |
Known URLs
2Where 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=34730-59-1 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/131852726 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f8e863e6-b8ed-4090-ada8-7628f517d493 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| eda1a5a5-e887-4d7e-b48a-238be457c15e | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| de2a5a76-f194-46bb-abcd-bc961957ae1c | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 13aef63e-16d1-447d-aa82-7071dacd6536 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 3cd2a4ab-0ab8-413b-8849-0a3881fe446b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 8bc339b5-9d89-4b4a-82ac-978037f82452 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| ea4f1e29-f725-4995-8bcd-b3a0d0603cd7 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 42a54287-fdec-4c6b-9ce6-3c8d5c0b6eec | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| dea35bcc-4378-419c-b1d7-5a50ffc80c08 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| a4f15021-cfea-41fa-bc9e-512b6f207712 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 89845bfd-9176-498b-81bb-d0d08dfc488e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| aac18574-2053-45ed-831b-43e0523d514d | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 6735e830-8339-4155-b224-b579b08c07b1 | 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-a793139fafc20cfb",
"prefLabel": [
{
"@value": "Sodium 2-(2-aminoethylamino)ethanesulfonate",
"@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": "2-[(2-Aminoethyl)amino]ethanesulfonic acid sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "AAS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, monosodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, sodium salt (1:1)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Evonik A 95",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(2-Aminoethyl)-2-aminoethanesulfonic acid sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(2-Sulfoethyl)ethylenediamine sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium 2-[(2-aminoethyl)amino]ethanesulfonate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium 2-[(2-aminoethyl)amino]ethanesulphonate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium 5-amino-3-azapentane-1-sulfonate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium N-(2-aminoethyl)-2-aminoethanesulfonate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium N-(2-aminoethyl)aminoethanesulfonate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Steans 50",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Vestamin A 95",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "W 01COBQV7243",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34730-59-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C4H11N2NaO3S",
"C4H12N2NaO3S"
],
"attested_by": {
"C4H12N2NaO3S": [
"enrich_references.pubchem_semantic"
],
"C4H11N2NaO3S": [
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131852726"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NCCNCCS(=O)(=O)[O-].[Na+]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ROZLDLJVUNEAFL-UHFFFAOYSA-N",
"VRRABDXZDGRGPC-UHFFFAOYSA-M"
],
"attested_by": {
"ROZLDLJVUNEAFL-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic"
],
"VRRABDXZDGRGPC-UHFFFAOYSA-M": [
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131852726"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NCCNCCS(=O)(=O)[O-].[Na+]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"NCCNCCS(=O)(=O)[O-].[Na+]"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Sodium 2-(2-aminoethylamino)ethanesulfonate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NCCNCCS(=O)(=O)[O-].[Na+]"
]
}
],
"attested_by": {
"NCCNCCS(=O)(=O)[O-].[Na+]": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C4H12N2O3S.Na/c5-1-2-6-3-4-10(7,8)9;/h6H,1-5H2,(H,7,8,9);/q;+1/p-1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Sodium 2-(2-aminoethylamino)ethanesulfonate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NCCNCCS(=O)(=O)[O-].[Na+]"
]
}
],
"attested_by": {
"InChI=1S/C4H12N2O3S.Na/c5-1-2-6-3-4-10(7,8)9;/h6H,1-5H2,(H,7,8,9);/q;+1/p-1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Sodium 2-(2-aminoethylamino)ethanesulfonate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Sodium 2-(2-aminoethylamino)ethanesulfonate"
]
},
"attested_by": {
"Sodium 2-(2-aminoethylamino)ethanesulfonate": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=34730-59-1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131852726;CAS:34730-59-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[34730-59-1]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/131852726",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131852726;CAS:34730-59-1"
],
"prov:wasDerivedFrom": "pubchem.by_cas[34730-59-1]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "13aef63e-16d1-447d-aa82-7071dacd6536",
"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": [
"34730-59-1"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=34730-59-1"
}
],
"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": [
"252-173-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=252-173-9"
],
"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