Phenyl(pyrimidin-2-YL)methanamine
Basic information
- CAS
907594-98-3- Standard SMILES
NC(c1ccccc1)c1ncccn1- InChIKey
GRQOIOHNRSSNED-UHFFFAOYSA-N- Molecular formula
- C11H11N3
- Average molar mass
- 185.22 g/mol
Names & identifiers
- Preferred name
- Phenyl(pyrimidin-2-YL)methanamine
- IUPAC
- phenyl(pyrimidin-2-yl)methanamine
- English name
- 2-Pyrimidinemethanamine, -alpha--phenyl- (9CI)
- Molecular formula
- C11H11N3
- Molecular weight
- 185.22514
Names & synonyms
PHENYL(PYRIMIDIN-2-YL)METHANAMINE907594-98-3SCHEMBL3835096AB65356CS-0021658EN300-11220572-Pyrimidinemethanamine, α-phenyl-2-Pyrimidinemethanamine, -alpha--phenyl- (9CI)
Database identifiers
- CAS
907594-98-3
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 214 · 214-216 °C
- Boiling point
- 317.4 · 317.4±35.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.02 · 7.02±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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