Basic information
- CAS
63019-51-2- Standard SMILES
Clc1cc(N2CC2)nc(-c2ccccc2)n1- InChIKey
HANLIIBFXPRKMI-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3
- Average molar mass
- 231.68 g/mol
- Monoisotopic mass
- 231.056325
Names & identifiers
- Preferred name
- 6-(1-Aziridinyl)-4-chloro-2-phenylpyrimidine
- IUPAC
- 4-(aziridin-1-yl)-6-chloro-2-phenylpyrimidine
- English name
- 6-(1-Aziridinyl)-4-chloro-2-phenylpyrimidine
- Molecular formula
- C12H10ClN3
- Molecular weight
- 231.68
Names & synonyms
6-(1-Aziridinyl)-4-chloro-2-phenylpyrimidine63019-51-2BRN 00161034-(aziridin-1-yl)-6-chloro-2-phenylpyrimidine4-Chloro-6-ethyleneimino-2-phenylpyrimidinePyrimidine, 4-chloro-6-ethyleneimino-2-phenyl-4-25-00-02657 (Beilstein Handbook Reference)DTXSID20978914DB-3254384-aziridin-1-yl-6-chloro-2-phenyl-pyrimidine4-Chloro-6-(1-aziridinyl)-2-phenylpyrimidinePyrimidine, 4-(1-aziridinyl)-6-chloro-2-phenyl-
Database identifiers
- CAS
63019-51-2- PubChem CID
- 112978
- DTXSID
DTXSID20978914- Nikkaji
- J70.356G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 28.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 66 · 66-67 °C
- Boiling point
- 371.32 °C · 371.32°C (rough estimate)
- Density
- 1.2333 · 1.2333 (rough estimate)
- refractive index
- 1.601 · 1.6010 (estimate)
- pka
- -0.05 · -0.05±0.39(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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