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189152-00-9 | 1,2-Cyclohexanediamine, N1,N2-bis(3,3-dimethylbutyl)-, (1S,2S)-
CAS No: 189152-00-9 Catalog No: AG002HXU MDL No:
Product Description
Catalog Number:
AG002HXU
Chemical Name:
1,2-Cyclohexanediamine, N1,N2-bis(3,3-dimethylbutyl)-, (1S,2S)-
CAS Number:
189152-00-9
Molecular Formula:
C18H38N2
Molecular Weight:
282.5077
IUPAC Name:
(1S,2S)-1-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine
InChI:
InChI=1S/C18H38N2/c1-17(2,3)11-13-19-15-9-7-8-10-16(15)20-14-12-18(4,5)6/h15-16,19-20H,7-14H2,1-6H3/t15-,16-/m0/s1
InChI Key:
QMXBPISHDZOHRJ-HOTGVXAUSA-N
SMILES:
CC(CCN[C@H]1CCCC[C@@H]1NCCC(C)(C)C)(C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
282.303g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.516g/mol
Monoisotopic Mass:
282.303g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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