4-[Bis(2-chloroethyl)amino]phenylalanine

CAS Registry Number®

531-76-0
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CAS Name

4-[Bis(2-chloroethyl)amino]phenylalanine

Molecular Formula

C13H18Cl2N2O2

Molecular Mass

305.20

Cite this Page

4-[Bis(2-chloroethyl)amino]phenylalanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=531-76-0 (retrieved 2024-05-03) (CAS RN: 531-76-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180-181 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)

InChIKey

InChIKey=SGDBTWWWUNNDEQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C(N)CC1=CC=C(C=C1)N(CCCl)CCCl

Other Names for this Substance

  • Phenylalanine, 4-[bis(2-chloroethyl)amino]-
  • DL-Phenylalanine, 4-[bis(2-chloroethyl)amino]-
  • Alanine, 3-[p-[bis(2-chloroethyl)amino]phenyl]-, DL-
  • 4-[Bis(2-chloroethyl)amino]phenylalanine
  • DL-Sarcolysine

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Deleted or Replaced CAS Registry Numbers

51-87-6, 46993-34-4

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