Me-a-alpha-c
fo-5780cdced12c62cc
Identity
- Type
- Neutral molecule
- CAS
- 68006-83-7
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
7- 1H-Pyrido[2,3-b]indol-2-amine, 3-methyl-
- 2-Amino-3-methyl-9H-pyrido[2,3-b]indole
- 2-Amino-3-methyl-α-carboline
- 3-Methyl-9H-1,9-diazafluoren-2-amine
- 3-Methyl-9H-pyrido[2,3-b]indol-2-amine
- 9H-Pyrido[2,3-b]indol-2-amine, 3-methyl-
- MeA-alpha-C
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | IVLCGFRPPGNALI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H11N3/c1-7-6-9-8-4-2-3-5-10(8)14-12(9)15-11(7)13/h2-6H,1H3,(H3,13,14,15) |
| IUPAC name chemrof:IUPAC_name | 1H-Pyrido[2,3-b]indol-2-amine, 3-methyl- |
| Molecular formula chemrof:molecular_formula | C12H11N3 |
| Molecular mass chemrof:molecular_mass | 197.241 |
| Monoisotopic mass chemrof:monoisotopic_mass | 197.095297, 197.0953 |
| SMILES string chemrof:smiles_string | Cc1cc2c3ccccc3nc-2[nH]c1N |
Known URLs
9Where 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=68006-83-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82337 | enrich_references.chebi_id_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5043766 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/20AI638WCJ | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.286F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19253 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19253 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/62244 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27155884 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3e4d9e9a-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8d84-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8d83-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8d85-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8d82-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8d80-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-9ffe-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8d81-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-9ffc-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-9fff-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8d86-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 902fffec3d714577ba31236687fc2bea95ba0361 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-9ffd-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
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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