Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester

HCID 45323

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Basic information

CAS: 27951-79-7
Standard SMILES: CCN(CC)CCOC(=O)c1ccc(N)cc1C
InChIKey: YZMWTZZVNXBDQF-UHFFFAOYSA-N
Molecular formula: C14H22N2O2
Average molar mass: 250.34 g/mol
Monoisotopic mass: 250.16812795

Names & identifiers

Preferred name: Benzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester
IUPAC: 2-(diethylamino)ethyl 4-amino-2-methylbenzoate

Names & synonyms

2-Diethylaminoethyl 4-amino-2-methylbenzoateBRN 211121427951-79-74-Amino-o-toluic acid 2-(diethylamino)ethyl esterDTXSID00182234o-Toluic acid, 4-amino-, 2-(diethylamino)ethyl esterBenzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl esterBenzoic acid, 4-amino-2-methyl-, 2-(diethylamino)ethyl ester (9CI)RefChem:118448DTXCID101047252-(diethylamino)ethyl 4-amino-2-methylbenzoateAKOS011100316

Database identifiers

CAS: 27951-79-7
PubChem CID: 45323
DTXSID: DTXSID00182234

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 55.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 254

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