3-(Dimethylamino)propyl benzoate

HCID 2249229

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Basic information

CAS: 25314-80-1
Standard SMILES: CN(C)CCCOC(=O)c1ccccc1
InChIKey: HYFRSDYVPRIFOE-UHFFFAOYSA-N
Molecular formula: C12H17NO2
Average molar mass: 207.27 g/mol
Monoisotopic mass: 207.12592879

Overview

3-(dimethylamino)propyl benzoate is a benzoate ester.

Names & identifiers

Preferred name: 3-(Dimethylamino)propyl benzoate
IUPAC: 3-(dimethylamino)propyl benzoate

Names & synonyms

3-(Dimethylamino)propyl benzoate25314-80-11-Propanol, 3-(dimethylamino)-, 1-benzoateCBMicro_047948MLS000532705SCHEMBL7571868CHEMBL1571562SCHEMBL11287086CHEBI:34327DTXSID703672383-(dimethylamino) propyl benzoateHMS2469K21

Show more names

SMR000140143BIM-0047932.P001SR-01000196593SR-01000196593-1Q27115993

Database identifiers

CAS: 25314-80-1
PubChem CID: 2249229
DTXSID: DTXSID70367238
ChEMBL: CHEMBL1571562
ChEBI: CHEBI:34327
Nikkaji: J2.788.086J

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 186

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