Basic information
- CAS
100311-31-7- Standard SMILES
CN(C)c1ccc(CNNC(=O)c2ccc(Cl)cc2)cc1- InChIKey
YORRHLPJFBLZNO-UHFFFAOYSA-N- Molecular formula
- C16H18ClN3O
- Average molar mass
- 303.78 g/mol
- Monoisotopic mass
- 303.1138399
Names & identifiers
- Preferred name
- Benzoic acid, p-chloro-, 2-(p-(dimethylamino)benzyl)hydrazide
- IUPAC
- 4-chloro-N'-[[4-(dimethylamino)phenyl]methyl]benzohydrazide
Names & synonyms
BRN 0923500BENZOIC ACID, p-CHLORO-, 2-(p-(DIMETHYLAMINO)BENZYL)HYDRAZIDE100311-31-7p-Chlorobenzoic acid 2-(p-(dimethylamino)benzyl)hydrazideDTXSID30143151RefChem:327929DTXCID00656424-CHLORO-N'-{[4-(DIMETHYLAMINO)PHENYL]METHYL}BENZOHYDRAZIDEZINC02020842
Database identifiers
- CAS
100311-31-7- PubChem CID
- 57763
- DTXSID
DTXSID30143151- Nikkaji
- J73.914F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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