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114136-90-2 | 1,12-Dodecanediamine, N1,N12-bis(2-methyl-2-nitropropyl)-
CAS No: 114136-90-2 Catalog No: AG000AMS MDL No:
Product Description
Catalog Number:
AG000AMS
Chemical Name:
1,12-Dodecanediamine, N1,N12-bis(2-methyl-2-nitropropyl)-
CAS Number:
114136-90-2
Molecular Formula:
C20H42N4O4
Molecular Weight:
402.5719
IUPAC Name:
N,N'-bis(2-methyl-2-nitropropyl)dodecane-1,12-diamine
InChI:
InChI=1S/C20H42N4O4/c1-19(2,23(25)26)17-21-15-13-11-9-7-5-6-8-10-12-14-16-22-18-20(3,4)24(27)28/h21-22H,5-18H2,1-4H3
InChI Key:
XMMODGGONLGJCY-UHFFFAOYSA-N
SMILES:
CC([N+](=O)[O-])(CNCCCCCCCCCCCCNCC([N+](=O)[O-])(C)C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.321g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
402.58g/mol
Monoisotopic Mass:
402.321g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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