Nitrocaphane
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Product Description
Product
Nitrocaphane
CAS
54940-95-3
Formula
C14H19O4N3CL2; C14H19Cl2N3O4
Synonym
2-((Bis(2-chloroethyl)amino)methyl)-5-nitrophenylalanine; 3-[2-[[Bis(2-chloroethyl)amino]methyl]-5-nitrophenyl]-2-aminopropionic acid; At-1258; Nitrocaphane/3; Nsc 245413; Phenylalanine, 2-((bis(2-chloroethyl)amino)methyl)-5-nitro-
Typical Product Specifications
SMILES
[N+](c1cc(C[C@@H](C(O)=O)N)c(cc1)CN(CCCl)CCCl)([O-])=O
InChI
VEBTZMUIBMIPCD-UHFFFAOYSA-N
InChIKey
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)
Class
Nitrocaphane
Product Description
Product
Nitrocaphane
CAS
54940-95-3
Formula
C14H19O4N3CL2; C14H19Cl2N3O4
Synonym
2-((Bis(2-chloroethyl)amino)methyl)-5-nitrophenylalanine; 3-[2-[[Bis(2-chloroethyl)amino]methyl]-5-nitrophenyl]-2-aminopropionic acid; At-1258; Nitrocaphane/3; Nsc 245413; Phenylalanine, 2-((bis(2-chloroethyl)amino)methyl)-5-nitro-
Typical Product Specifications
SMILES
[N+](c1cc(C[C@@H](C(O)=O)N)c(cc1)CN(CCCl)CCCl)([O-])=O
InChI
VEBTZMUIBMIPCD-UHFFFAOYSA-N
InChIKey
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)
Class