N~2~-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine
fo-084718ff3c2e4e98
Identity
- Type
- Neutral molecule
- CAS
- 3576-88-3
- EC
- 222-695-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
7- 1,3,5-Triazine-2,4,6-triamine, N-(4,6-diamino-1,3,5-triazin-2-yl)-
- 1,3,5-Triazine-2,4,6-triamine, N2-(4,6-diamino-1,3,5-triazin-2-yl)-
- 2,2′-Iminobis(4,6-diamino-1,3,5-triazine)
- Melam
- Melam polyphosphate
- N2-(4,6-Diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine
- s-Triazine, 2,2′-iminobis[4,6-diamino-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | YZEZMSPGIPTEBA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H9N11/c7-1-11-2(8)14-5(13-1)17-6-15-3(9)12-4(10)16-6/h(H9,7,8,9,10,11,12,13,14,15,16,17) |
| IUPAC name chemrof:IUPAC_name | N~2~-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine |
| Molecular formula chemrof:molecular_formula | C6H9N11 |
| Molecular mass chemrof:molecular_mass | 235.215 |
| Monoisotopic mass chemrof:monoisotopic_mass | 235.104239 |
| SMILES string chemrof:smiles_string | Nc1nc(N)nc(Nc2nc(N)nc(N)n2)n1 |
Known URLs
7Where 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=3576-88-3 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.020.632 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID50957156 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/763B6VP74S | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J32.994K | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/77125 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q6811137 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 50766c50-45fe-4581-a613-05d6ce4a89b1 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| fffc68b6-b744-4618-9869-1661c21b902d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 4041e70e-a177-4df1-91cb-dcc39e54087e | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 06189462-19e6-47f7-a220-cde01b662c65 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 090744fd-f848-4771-823a-d24ddd8a2215 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 260a60f4-96ec-4d20-b9a4-9feafe94280e | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| e41ff6e3-863f-42d0-befb-c280232b1159 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 2002cbfd-0106-4e9a-b44f-1639e3b95696 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| c710a17f-2d28-4585-9e4d-7983ddf1eedc | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 238d2a5c-f983-49f5-9754-943069c2b978 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c07383f7-a763-4b95-b68f-706b57b9ff45 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| a7f48420-ba64-4bd5-b541-b885dd9e14b3 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| d417c0a4-3aa7-45e5-9534-738c96097a43 | 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-084718ff3c2e4e98",
"prefLabel": [
{
"@value": "N~2~-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine",
"@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": "1,3,5-Triazine-2,4,6-triamine, N-(4,6-diamino-1,3,5-triazin-2-yl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3576-88-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3576-88-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3,5-Triazine-2,4,6-triamine, N2-(4,6-diamino-1,3,5-triazin-2-yl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3576-88-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3576-88-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2′-Iminobis(4,6-diamino-1,3,5-triazine)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3576-88-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3576-88-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Melam",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3576-88-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3576-88-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Melam polyphosphate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3576-88-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3576-88-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N2-(4,6-Diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3576-88-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3576-88-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "s-Triazine, 2,2′-iminobis[4,6-diamino-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3576-88-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=3576-88-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H9N11"
],
"attested_by": {
"C6H9N11": [
"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:77125"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1nc(N)nc(Nc2nc(N)nc(N)n2)n1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"YZEZMSPGIPTEBA-UHFFFAOYSA-N"
],
"attested_by": {
"YZEZMSPGIPTEBA-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:77125"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1nc(N)nc(Nc2nc(N)nc(N)n2)n1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Nc1nc(N)nc(Nc2nc(N)nc(N)n2)n1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N~2~-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1nc(N)nc(Nc2nc(N)nc(N)n2)n1"
]
}
],
"attested_by": {
"Nc1nc(N)nc(Nc2nc(N)nc(N)n2)n1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C6H9N11/c7-1-11-2(8)14-5(13-1)17-6-15-3(9)12-4(10)16-6/h(H9,7,8,9,10,11,12,13,14,15,16,17)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N~2~-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1nc(N)nc(Nc2nc(N)nc(N)n2)n1"
]
}
],
"attested_by": {
"InChI=1S/C6H9N11/c7-1-11-2(8)14-5(13-1)17-6-15-3(9)12-4(10)16-6/h(H9,7,8,9,10,11,12,13,14,15,16,17)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"N~2~-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N~2~-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine"
]
},
"attested_by": {
"N~2~-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
235.215
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1(=NC(=NC(=N1)NC2=NC(=NC(=N2)N)N)N)N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1nc(N)nc(Nc2nc(N)nc(N)n2)n1"
]
}
],
"attested_by": {
"235.215": [
"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": [
235.104239
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1(=NC(=NC(=N1)NC2=NC(=NC(=N2)N)N)N)N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1nc(N)nc(Nc2nc(N)nc(N)n2)n1"
]
}
],
"attested_by": {
"235.104239": [
"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=J32.994K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77125;CAS:3576-88-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3576-88-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.020.632",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77125;CAS:3576-88-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3576-88-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=3576-88-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77125;CAS:3576-88-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3576-88-3]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID50957156",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77125;CAS:3576-88-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3576-88-3]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/763B6VP74S",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77125;CAS:3576-88-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3576-88-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/77125",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77125;CAS:3576-88-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[3576-88-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q6811137",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77125;CAS:3576-88-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3576-88-3]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "06189462-19e6-47f7-a220-cde01b662c65",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"3576-88-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=3576-88-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=3576-88-3"
}
],
"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": [
"222-695-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=222-695-1"
],
"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/NeutralMolecule"
]
}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