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Home > Nitro Compounds > 15113-66-3
15113-66-3 | L-Lysine, N6-(2,4,6-trinitrophenyl)-
CAS No: 15113-66-3 Catalog No: AG001N4X MDL No:
Product Description
Catalog Number:
AG001N4X
Chemical Name:
L-Lysine, N6-(2,4,6-trinitrophenyl)-
CAS Number:
15113-66-3
Molecular Formula:
C12H15N5O8
Molecular Weight:
357.2762
IUPAC Name:
(2S)-6-amino-2-(2,4,6-trinitroanilino)hexanoic acid
InChI:
InChI=1S/C12H15N5O8/c13-4-2-1-3-8(12(18)19)14-11-9(16(22)23)5-7(15(20)21)6-10(11)17(24)25/h5-6,8,14H,1-4,13H2,(H,18,19)/t8-/m0/s1
InChI Key:
MGQKQZUNPAWBNG-QMMMGPOBSA-N
SMILES:
OC(=O)[C@H](CCCCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
357.092g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
357.279g/mol
Monoisotopic Mass:
357.092g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
213A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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