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114136-91-3 | 1,4-Cyclohexanediamine, N1,N4-bis(2-methyl-2-nitropropyl)-
CAS No: 114136-91-3 Catalog No: AG000AMR MDL No:
Product Description
Catalog Number:
AG000AMR
Chemical Name:
1,4-Cyclohexanediamine, N1,N4-bis(2-methyl-2-nitropropyl)-
CAS Number:
114136-91-3
Molecular Formula:
C14H28N4O4
Molecular Weight:
316.3965
IUPAC Name:
1-N,4-N-bis(2-methyl-2-nitropropyl)cyclohexane-1,4-diamine
InChI:
InChI=1S/C14H28N4O4/c1-13(2,17(19)20)9-15-11-5-7-12(8-6-11)16-10-14(3,4)18(21)22/h11-12,15-16H,5-10H2,1-4H3
InChI Key:
IWBQWAKTMBEVFV-UHFFFAOYSA-N
SMILES:
CC([N+](=O)[O-])(CNC1CCC(CC1)NCC([N+](=O)[O-])(C)C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.211g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.402g/mol
Monoisotopic Mass:
316.211g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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