4-[Bis(2-chloroethyl)amino]phenylalanine
CAS Registry Number®
531-76-0
CAS Name
4-[Bis(2-chloroethyl)amino]phenylalanineMolecular Formula
C13H18Cl2N2O2Molecular Mass
305.20Cite 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?cas_rn=531-76-0 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
51-87-6, 46993-34-4