Acetoguanamine
fo-650537a6dab79328
Identity
- Type
- Neutral molecule
- CAS
- 542-02-9
- EC
- 208-796-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
10- 1,3,5-Triazine-2,4-diamine, 6-methyl-
- 2,4-Diamino-6-methyl-1,3,5-triazine
- 2,4-Diamino-6-methyl-s-triazine
- 2,6-Diamino-4-methyl-s-triazine
- 2-Methyl-4,6-diamino-1,3,5-triazine
- 2-Methyl-4,6-diamino-s-triazine
- 6-methyl-1,3,5-triazine-2,4-diamine
- 6-Methyl-2,4-diamino-1,3,5-triazine
- 6-Methylguanamine
- s-Triazine, 2,4-diamino-6-methyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | NJYZCEFQAIUHSD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9) |
| IUPAC name chemrof:IUPAC_name | 2,4-Diamino-6-methyl-1,3,5-triazine |
| Molecular formula chemrof:molecular_formula | C4H7N5 |
| Molecular mass chemrof:molecular_mass | 125.135 |
| Monoisotopic mass chemrof:monoisotopic_mass | 125.070145, 125.07015 |
| SMILES string chemrof:smiles_string | Cc1nc(N)nc(N)n1 |
Known URLs
17Where 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=542-02-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:72475 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.007.998 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5029186 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=257 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1738722 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AX41T8ULB3 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.662A | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=65980 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:3AW | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/10949 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17989489 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21103491 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21201674 | enrich_references.chebi_xrefs |
| reaxys | reaxys:118348 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q4673271 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Acetoguanamine | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d5705b17-4978-434e-816a-51e4396c27cd | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| cbbee38a-ed28-4b50-b482-0f949ada74f7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 2a46aeb9-6bec-4675-a818-c2cd4d615def | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 0cef71e7-6ac0-4e39-878b-2fe5801406e3 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 83f17c9f-acf9-44cc-bc16-b0cff885166e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4ca3b734-2701-4d0a-87d6-15b77ea0d4b5 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| e8e221ee-61b2-4c7d-ab41-b95e157ae484 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| ab7367fa-0328-490e-b858-d67dad92b7c5 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| ca4441e9-fd24-487b-9102-21a16817b007 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| e848302b-15b2-42ee-84fb-abe2b37d8f41 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 8ddd2123-583d-4df3-9c72-fc52b813484a | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 1827a189-e6c9-4d62-9bee-b0e9850e0477 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 8c704f93-3b6b-4059-9f4c-f99389205598 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 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