Methyl 3-amino-2-pyrazinecarboxylate
fo-2388a407e1e74778
Identity
- Type
- Neutral molecule
- CAS
- 16298-03-6
- EC
- 240-387-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
10- 2-Amino-3-(methoxycarbonyl)pyrazine
- 2-Pyrazinecarboxylic acid, 3-amino-, methyl ester
- 3-aminopyrazine-2-carboxylic acid methyl ester
- 3-aminopyrazinecarboxylic acid methyl ester
- Methyl 2-aminopyrazine-3-carboxylate
- methyl 3-amino-2-pyrazine carboxylate
- methyl 3-aminopyrazine-2-carboxylate
- methyl 3-aminopyrazinecarboxylate
- Pyrazinecarboxylic acid, 3-amino-, methyl ester
- Pyrazinoic acid, 3-amino-, methyl ester
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | INCSQLZZXBPATR-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H7N3O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3,(H2,7,9) |
| IUPAC name chemrof:IUPAC_name | Methyl 3-amino-2-pyrazinecarboxylate |
| Molecular formula chemrof:molecular_formula | C6H7N3O2 |
| Molecular mass chemrof:molecular_mass | 153.141 |
| Monoisotopic mass chemrof:monoisotopic_mass | 153.053826, 153.05383 |
| SMILES string chemrof:smiles_string | COC(=O)c1nccnc1N |
Known URLs
12Where 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=16298-03-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:145238 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.036.700 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID10167496 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=123649 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1866348 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B2B97688ND | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J236.297J | enrich_references.pubchem_identifier_url |
| patent | patent:EP0416220 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/72669 | enrich_references.pubchem_compound |
| reaxys | reaxys:127495 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q72487365 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 284e4aba-671e-4c39-a23d-b7fe808fa4da | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 3a7ce292-7f01-426d-b84e-30fa4c69731e | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| e409a2e1-5601-468d-94ec-6e213a23bdb3 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| da84da67-4820-4161-91a7-a5bfe229361c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 0017c7c1-f225-4d81-b57e-c00ddbd33d4f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 016c9bc1-34d0-4716-b45c-69bc7801de3c | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| e05665a5-9e30-4c6e-8917-18f1cc540625 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 76715cd4-1cf1-4d4b-9f19-c7b9ceb18955 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| da9fa893-f976-44cb-ad29-937c6d04ea2c | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| ff6f2d14-9067-432d-b50f-238c15c3b203 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| b139964b-8796-4ef4-858b-8006be73cd9c | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 26ecaeaf-a1a1-4a09-af75-6659650d9685 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 6b250f4a-cd39-454f-86a3-d15379058c94 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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"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": [
"16298-03-6"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=16298-03-6"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=16298-03-6"
}
],
"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": [
"240-387-5"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=240-387-5"
],
"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,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A pyrazine that is substituted by a methoxycarbonyl group at position 2 and an amino group at position 3.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_145238"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@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