2-[[Bis(2-chloroethyl)amino]methyl]-5-nitrophenylalanine

CAS Registry Number®

54940-95-3
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CAS Name

2-[[Bis(2-chloroethyl)amino]methyl]-5-nitrophenylalanine

Molecular Formula

C14H19Cl2N3O4

Molecular Mass

364.22

Cite this Page

2-[[Bis(2-chloroethyl)amino]methyl]-5-nitrophenylalanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54940-95-3 (retrieved 2024-05-21) (CAS RN: 54940-95-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H19Cl2N3O4/c15-3-5-18(6-4-16)9-10-1-2-12(19(22)23)7-11(10)8-13(17)14(20)21/h1-2,7,13H,3-6,8-9,17H2,(H,20,21)

InChIKey

InChIKey=VEBTZMUIBMIPCD-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C(N)CC1=CC(=CC=C1CN(CCCl)CCCl)N(=O)=O

Other Names for this Substance

  • Phenylalanine, 2-[[bis(2-chloroethyl)amino]methyl]-5-nitro-
  • 2-[[Bis(2-chloroethyl)amino]methyl]-5-nitrophenylalanine
  • AT 1258
  • Nitrocaphane
  • NSC 245413

Deleted or Replaced CAS Registry Numbers

75023-24-4

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