Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester, hydrochloride

HCID 32675

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Basic information

CAS: 24813-09-0
Standard SMILES: CC[NH+](CC)CCOC(=O)c1ccccc1N(CCCl)CCCl.[Cl-]
InChIKey: CJDDLBADTXSUEK-UHFFFAOYSA-N
Molecular formula: C17H27Cl3N2O2
Average molar mass: 397.8 g/mol
Monoisotopic mass: 396.113811

Names & identifiers

Preferred name: Benzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester, hydrochloride
IUPAC: 2-[2-[bis(2-chloroethyl)amino]benzoyl]oxyethyl-diethylazanium chloride

Names & synonyms

m-(Bis(2-chloroethyl)amino)benzoic acid 2-(diethylamino)ethyl ester hydrochlorideBenzoic acid, m-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester, hydrochloride24813-09-0RefChem:327722

Database identifiers

CAS: 24813-09-0
PubChem CID: 32675

Properties

Computed structural properties

Topological polar surface area: 34 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 12
Heavy atoms: 24
Formal charge: 0
Complexity: 322

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