Basic information
- CAS
13301-35-4- Standard SMILES
N#CCc1nc(N)nc(N)n1- InChIKey
CYAHRCOFGLBBLW-UHFFFAOYSA-N- Molecular formula
- C5H6N6
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.06539422
Names & identifiers
- Preferred name
- 2-(Diamino-1,3,5-triazin-2-yl)acetonitrile
- IUPAC
- 2-(4,6-diamino-1,3,5-triazin-2-yl)acetonitrile
- English name
- 1,3,5-Triazine-2-acetonitrile,4,6-diamino-(9CI)
- Molecular formula
- C5H6N6
- Molecular weight
- 150.14
Names & synonyms
13301-35-42-(diamino-1,3,5-triazin-2-yl)acetonitrile2-(4,6-diamino-1,3,5-triazin-2-yl)acetonitrile1,3,5-Triazine-2-acetonitrile,4,6-diamino-(9CI)(4,6-diamino-1,3,5-triazin-2-yl)acetonitrileSCHEMBL17652128DTXSID50274799NAA30135AKOS022634488CS-0247727EN300-37273G44288
Show more names
1,3,5-Triazine-2-acetonitrile, 4,6-diamino-
Z228589640
Database identifiers
- CAS
13301-35-4- PubChem CID
- 25841
- DTXSID
DTXSID50274799- EC Number
- 154-721-1
- Nikkaji
- J1.556.292G
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
CHEMSTEP[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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