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139424-40-1 | Cyclohexanamine, 4,4'-methylenebis[2-(1,1-dimethylethyl)-
CAS No: 139424-40-1 Catalog No: AG001AZO MDL No:
Product Description
Catalog Number:
AG001AZO
Chemical Name:
Cyclohexanamine, 4,4'-methylenebis[2-(1,1-dimethylethyl)-
CAS Number:
139424-40-1
Molecular Formula:
C21H42N2
Molecular Weight:
322.5716
IUPAC Name:
4-[(4-amino-3-tert-butylcyclohexyl)methyl]-2-tert-butylcyclohexan-1-amine
InChI:
InChI=1S/C21H42N2/c1-20(2,3)16-12-14(7-9-18(16)22)11-15-8-10-19(23)17(13-15)21(4,5)6/h14-19H,7-13,22-23H2,1-6H3
InChI Key:
BHJVUVPHXPVOBK-UHFFFAOYSA-N
SMILES:
NC1CCC(CC1C(C)(C)C)CC1CCC(C(C1)C(C)(C)C)N
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.335g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.581g/mol
Monoisotopic Mass:
322.335g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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