Cariprazine Impurity 12
Basic information
- CAS
2327471-74-7- Standard SMILES
CN(C)C(=O)N1CCN(c2cccc(Cl)c2Cl)CC1- InChIKey
HRMLGCUNJMGMAI-UHFFFAOYSA-N- Molecular formula
- C13H17Cl2N3O
- Average molar mass
- 302.2 g/mol
- Monoisotopic mass
- 301.0748676
Names & identifiers
- Preferred name
- Cariprazine Impurity 12
- IUPAC
- 4-(2,3-dichlorophenyl)-N,N-dimethylpiperazine-1-carboxamide
- English name
- 1-Piperazinecarboxamide, 4-(2,3-dichlorophenyl)-N,N-dimethyl-
- Molecular formula
- C13H17Cl2N3O
- Molecular weight
- 302.2
Names & synonyms
Cariprazine Impurity 122327471-74-7VXN8HG2K7D4-(2,3-Dichlorophenyl)-N,N-dimethyl-1-piperazinecarboxamide4-(2,3-Dichlorophenyl)-N,N-Dimethylpiperazine-1-Carboxamide1-Piperazinecarboxamide, 4-(2,3-dichlorophenyl)-N,N-dimethylCaliprazine impurity 17Cariprazine Impurity 17Thiophanate-Methyl Impurity 11-Piperazinecarboxamide, 4-(2,3-dichlorophenyl)-N,N-dimethyl-
Database identifiers
- CAS
2327471-74-7- PubChem CID
- 175678824
- UNII
- VXN8HG2K7D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 453.2 · 453.2±45.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- pka
- 1.15 · 1.15±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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