Basic information
- CAS
7512-47-2- Standard SMILES
CN(C)c1ccc(N=C2C=CC(=O)C(Cl)=C2)cc1- InChIKey
GFALCKJLTJCETA-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O
- Average molar mass
- 260.72 g/mol
- Monoisotopic mass
- 260.0716407
Names & identifiers
- Preferred name
- 2,5-Cyclohexadien-1-one, 2-chloro-4-(p-dimethylaminophenyl)imino-
- IUPAC
- 2-chloro-4-[4-(dimethylamino)phenyl]iminocyclohexa-2,5-dien-1-one
- English name
- 2-Chloro-4-[[4-(dimethylamino)phenyl]imino]-2,5-cyclohexadien-1-one
- Molecular formula
- C14H13ClN2O
- Molecular weight
- 260.72
Names & synonyms
7512-47-22-Chloro-4-(p-dimethylaminophenyl)imino-2,5-cyclohexadiene-1-one2,5-Cyclohexadien-1-one, 2-chloro-4-(p-dimethylaminophenyl)imino-NSC14725NSC-14725NSC-4011512-Chloro-4-[[4-(dimethylamino)phenyl]imino]-2,5-cyclohexadien-1-one2,5-Cyclohexadien-1-one, 2-chloro-4-((4-(dimethylamino)phenyl)imino)-2,5-Cyclohexadien-1-one, 2-chloro-4-[[4-(dimethylamino)phenyl]imino]-WLN: L6V DYJ BG DUNR DN1&1NSC 147252, 2-chloro-4-(p-dimethylaminophenyl)imino-
Show more names
2, 2-chloro-4-[[4-(dimethylamino)phenyl]imino]-NSC 401151BRN 2980527RTQ7H39J2V3-13-00-00145 (Beilstein Handbook Reference)CHEMBL3276921DTXSID1011617412-chloro-4-{[4-(dimethylamino)phenyl]imino}cyclohexa-2,5-dien-1-one
Database identifiers
- CAS
7512-47-2- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 379.469 · 379.469±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.178 · 1.178±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.118 · 6.118±0.24(predicted)
- FDA UNII
- 7 H39J2V · RTQ7H39J2V
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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