α-Amino-4-[bis(2-chloroethyl)amino]benzenebutanoic acid

CAS Registry Number®

3688-35-5

CAS Name

α-Amino-4-[bis(2-chloroethyl)amino]benzenebutanoic acid

Molecular Formula

C14H20Cl2N2O2

Molecular Mass

319.23

Cite this Page

α-Amino-4-[bis(2-chloroethyl)amino]benzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3688-35-5 (retrieved 2024-12-22) (CAS RN: 3688-35-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155-158 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H20Cl2N2O2/c15-7-9-18(10-8-16)12-4-1-11(2-5-12)3-6-13(17)14(19)20/h1-2,4-5,13H,3,6-10,17H2,(H,19,20)

InChIKey

InChIKey=WBIFEHLOTPXXKS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenebutanoic acid, α-amino-4-[bis(2-chloroethyl)amino]-
  • Butyric acid, 2-amino-4-[p-[bis(2-chloroethyl)amino]phenyl]-
  • α-Amino-4-[bis(2-chloroethyl)amino]benzenebutanoic acid
  • α-Amino-γ-(p-dichloroethylamino)phenylbutyric acid
  • Aminochlorambucil

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