p-(Dimethylamino)-methyleneamino benzoic acid, 2-dimethylaminoethyl ester
Basic information
- CAS
100311-40-8- Standard SMILES
CN(C)C=Nc1ccc(C(=O)OCCN(C)C)cc1- InChIKey
CSUSIJQHLPHOAO-UHFFFAOYSA-N- Molecular formula
- C14H21N3O2
- Average molar mass
- 263.34 g/mol
- Monoisotopic mass
- 263.16337692
Names & identifiers
- Preferred name
- p-(Dimethylamino)-methyleneamino benzoic acid, 2-dimethylaminoethyl ester
- IUPAC
- 2-(dimethylamino)ethyl 4-(dimethylaminomethylideneamino)benzoate
Names & synonyms
p-(Dimethylamino)-methyleneamino benzoic acid, 2-dimethylaminoethyl ester100311-40-8Benzoic acid, p-(N,N-dimethylformidoyl)-, 2-(dimethylamino)ethyl esterNSC173053NSC-173053
Database identifiers
- CAS
100311-40-8- PubChem CID
- 299748
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
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