4-Phenyl-1,3,5-triazin-2-amine
Basic information
- CAS
1853-95-8- Standard SMILES
Nc1ncnc(-c2ccccc2)n1- InChIKey
COIXVMRSSZXQKF-UHFFFAOYSA-N- Molecular formula
- C9H8N4
- Average molar mass
- 172.19 g/mol
- Monoisotopic mass
- 172.07489627
Names & identifiers
- Preferred name
- 4-Phenyl-1,3,5-triazin-2-amine
- IUPAC
- 4-phenyl-1,3,5-triazin-2-amine
- English name
- 2-Amino-4-phenyl-s-triazine
- Molecular formula
- C9H8N4
- Molecular weight
- 172.19
Names & synonyms
4-phenyl-1,3,5-triazin-2-amine1853-95-82-AMINO-4-PHENYL-S-TRIAZINEMFCD00234528Maybridge1_004031SCHEMBL3421908SCHEMBL31461473HMS552P05DTXSID70274559COIXVMRSSZXQKF-UHFFFAOYSA-N2-phenyl-6-amino-1,3,5-triazineSTL582139
Show more names
AKOS0131818761,3,5-Triazin-2-amine, 4-phenyl-CS-38727CS-0328447AC-907/25004910F727649
Database identifiers
- CAS
1853-95-8- PubChem CID
- 15822
- DTXSID
DTXSID70274559- Nikkaji
- J1.552.692K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 203 · 203-204 °C
- Boiling point
- 419 · 419.0±28.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- pka
- 2.95 · 2.95±0.10(Predicted)
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Related reactions
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Compound notes
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