Basic information
- CAS
4040-07-7- Standard SMILES
c1ccc(Nc2ncncn2)cc1- InChIKey
ZRHAGDPKFFHVEY-UHFFFAOYSA-N- Molecular formula
- C9H8N4
- Average molar mass
- 172.19 g/mol
- Monoisotopic mass
- 172.07489627
Names & identifiers
- Preferred name
- N-phenyl-1,3,5-triazin-2-amine
- IUPAC
- N-phenyl-1,3,5-triazin-2-amine
Names & synonyms
N-phenyl-1,3,5-triazin-2-amine4040-07-7DTXSID90274657RefChem:364745DTXCID80226120anilino-1,3,5-triazineSCHEMBL609197SCHEMBL5691029SCHEMBL8960505SCHEMBL10586534SCHEMBL10586536
Database identifiers
- CAS
4040-07-7- PubChem CID
- 19955
- DTXSID
DTXSID90274657- Nikkaji
- J1.553.701I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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