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Home > Nitro Compounds > 190580-80-4
190580-80-4 | 1H-1,4-Diazepine, hexahydro-6-methyl-6-nitro-1,4-bis(2-nitropropyl)-
CAS No: 190580-80-4 Catalog No: AG002EMV MDL No:
Product Description
Catalog Number:
AG002EMV
Chemical Name:
1H-1,4-Diazepine, hexahydro-6-methyl-6-nitro-1,4-bis(2-nitropropyl)-
CAS Number:
190580-80-4
Molecular Formula:
C12H23N5O6
Molecular Weight:
333.3409
IUPAC Name:
6-methyl-6-nitro-1,4-bis(2-nitropropyl)-1,4-diazepane
InChI:
InChI=1S/C12H23N5O6/c1-10(15(18)19)6-13-4-5-14(7-11(2)16(20)21)9-12(3,8-13)17(22)23/h10-11H,4-9H2,1-3H3
InChI Key:
QRWYCGZXLKTCEB-UHFFFAOYSA-N
SMILES:
CC([N+](=O)[O-])CN1CCN(CC(C1)(C)[N+](=O)[O-])CC([N+](=O)[O-])C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.165g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.345g/mol
Monoisotopic Mass:
333.165g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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