Products 54940-95-3

CAS 54940-95-3 is the registry number for Nitrocaphane. Offered by: Chemat Brand, TargetMol, MedChemExpress. Available pack sizes: on request, 25mg, 50mg, 100mg, Get quote.

Nitrocaphane
Chemat Brand, TargetMol, MedChemExpress
  • size: on request, 25mg, 50mg, 100mg
  • Variants: 5
from 14517.67
View product
Structural formula: {0} (CAS {1})

2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]-5-nitrophenyl]propanoic acid (CAS 54940-95-3) is a chemical compound with the molecular formula C14H19Cl2N3O4 and a molecular weight of 364.2 g/mol. IUPAC name: 2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]-5-nitrophenyl]propanoic acid. InChIKey: VEBTZMUIBMIPCD-UHFFFAOYSA-N.

Identity
Molecular formulaC14H19Cl2N3O4
Molecular weight364.2 g/mol
IUPAC name2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]-5-nitrophenyl]propanoic acid
InChIKeyVEBTZMUIBMIPCD-UHFFFAOYSA-N
SMILESC1=CC(=C(C=C1[N+](=O)[O-])CC(C(=O)O)N)CN(CCCl)CCCl

Computed by PubChem (NCBI)

Synonyms: Nitrocaphane, 2-((Bis(2-chloroethyl)amino)methyl)-5-nitrophenylalanine, Phenylalanine, 2-((bis(2-chloroethyl)amino)methyl)-5-nitro-, 2-{[bis(2-chloroethyl)amino]methyl}-5-nitrophenylalanine, Phenylalanine, 2-[[bis(2-chloroethyl)amino]methyl]-5-nitro-, 2-[[Bis(2-chloroethyl)amino]methyl]-5-nitrophenylalanine, Nitrocaphane/3, 2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]-5-nitrophenyl]propanoic acid, NITROCAPHANE [WHO-DD], orb1695898