4-[Bis(2-chloroethyl)amino]benzenepropanoic acid

CAS Registry Number®

6746-11-8

CAS Name

4-[Bis(2-chloroethyl)amino]benzenepropanoic acid

Molecular Formula

C13H17Cl2NO2

Molecular Mass

290.19

Cite this Page

4-[Bis(2-chloroethyl)amino]benzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6746-11-8 (retrieved 2025-05-31) (CAS RN: 6746-11-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H17Cl2NO2/c14-7-9-16(10-8-15)12-4-1-11(2-5-12)3-6-13(17)18/h1-2,4-5H,3,6-10H2,(H,17,18)

InChIKey

InChIKey=CXUFBRINAAJGEB-UHFFFAOYSA-N

SMILES

N(CCCl)(CCCl)C1=CC=C(CCC(O)=O)C=C1

Canonical SMILES

O=C(O)CCC1=CC=C(C=C1)N(CCCl)CCCl

Other Names for this Substance

  • Benzenepropanoic acid, 4-[bis(2-chloroethyl)amino]-
  • Hydrocinnamic acid, p-[bis(2-chloroethyl)amino]-
  • 4-[Bis(2-chloroethyl)amino]benzenepropanoic acid
  • Norchlorambucil
  • NSC 71965

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CAS INSIGHTSTM
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