N-methyl-n,4-dinitrosoaniline
fo-64432d1f35c21836
Identity
- Type
- Neutral molecule
- CAS
- 99-80-9
- EC
- 202-788-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
12- Aniline, N-methyl-N,p-dinitroso-
- Benzenamine, N-methyl-N,4-dinitroso-
- Elastopar
- Heat Pre
- N,4-Dinitroso-N-methylaniline
- N,4-Dinitroso-N-methylbenzenamine
- N,4-Dinitrosomethylaniline
- N,p-Dinitroso-N-methylaniline
- N-Methyl-N,4-dinitrosobenzenamine
- Nitrosan K
- Vulnoc DBM
- Aniline, N-methyl-N,4-dinitroso-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FMGUJLASXUBMOP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H7N3O2/c1-10(9-12)7-4-2-6(8-11)3-5-7/h2-5H,1H3 |
| IUPAC name chemrof:IUPAC_name | N,4-Dinitroso-N-methylaniline |
| Molecular formula chemrof:molecular_formula | C7H7N3O2 |
| Molecular mass chemrof:molecular_mass | 165.152 |
| Monoisotopic mass chemrof:monoisotopic_mass | 165.053826, 165.05383 |
| SMILES string chemrof:smiles_string | CN(N=O)c1ccc(N=O)cc1 |
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=99-80-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82489 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.535 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3020839 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL353270 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B4PP0E8KPO | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J12.990I | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19452 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19452 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/60991 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27155988 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e2fba100-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9c29-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9c28-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9c2a-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9c27-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9c25-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9c2e-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9c26-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9c2c-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9c2f-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9c2b-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 3e2190145449f66ac3b21a1587ef31b9dcd08544 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-9c2d-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "08a91e70-3ddc-11dd-9c25-0050c2490048",
"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": [
"99-80-9"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=99-80-9"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=99-80-9"
}
],
"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": [
"202-788-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=202-788-3"
],
"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