Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

HCID 314964

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 77063-19-5
Standard SMILES: CCCCCOC(=O)CCCc1ccc(N(CCCl)CCCl)cc1
InChIKey: BAQLWKOZSXGANT-UHFFFAOYSA-N
Molecular formula: C19H29Cl2NO2
Average molar mass: 374.3 g/mol
Monoisotopic mass: 373.1575346

Names & identifiers

Preferred name: Pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
IUPAC: pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

Names & synonyms

pentyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate77063-19-5Pentyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoateNSC236262DTXSID70311039Benzenebutanoic acid, pentyl esterNSC-236262

Database identifiers

CAS: 77063-19-5
PubChem CID: 314964
DTXSID: DTXSID70311039

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 14
Heavy atoms: 24
Formal charge: 0
Complexity: 314

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…