3130-02-7
(S)-6-AMINO-2-(2,4-DINITRO-PHENYLAMINO)-HEXANOIC ACID
Name(S)-6-AMINO-2-(2,4-DINITRO-PHENYLAMINO)-HEXANOIC ACID
1Identification
【Name】
(S)-6-AMINO-2-(2,4-DINITRO-PHENYLAMINO)-HEXANOIC ACID
【CAS】
【MDL】
MFCD00038201
【English Synonyms】
【Formula】
C12 H16 N4 O6
【MolWeight】
312.28
【Inchi】
InChI=1S/C12H16N4O6/c13-6-2-1-3-10(12(17)18)14-9-5-4-8(15(19)20)7-11(9)16(21)22/h4-5,7,10,14H,1-3,6,13H2,(H,17,18)/t10-/m0/s1
【InChIKey】
InChIKey=GSIJNJVQPCUGSE-JTQLQIEISA-N
【SMILES】
c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CCCCN)C(=O)O
【MOL File】
(S)-6-AMINO-2-(2,4-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:10
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-6-AMINO-2-(2,4-DINITRO-PHENYLAMINO)-HEXANOIC ACID.cml