4-(Chloromethyl)-6-phenyl-1,3,5-triazin-2-amine
Basic information
- CAS
1853-96-9- Standard SMILES
Nc1nc(CCl)nc(-c2ccccc2)n1- InChIKey
JGHLMOBUPWSWSB-UHFFFAOYSA-N- Molecular formula
- C10H9ClN4
- Average molar mass
- 220.66 g/mol
- Monoisotopic mass
- 220.051574
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-6-phenyl-1,3,5-triazin-2-amine
- IUPAC
- 4-(chloromethyl)-6-phenyl-1,3,5-triazin-2-amine
Names & synonyms
4-(chloromethyl)-6-phenyl-1,3,5-triazin-2-amine1853-96-9DTXSID80274560
Database identifiers
- CAS
1853-96-9- PubChem CID
- 15823
- DTXSID
DTXSID80274560- Nikkaji
- J1.552.714E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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