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824939-02-8 | 1,2-Cyclohexanediamine, N-methyl-N-(1-methylethyl)-, (1S,2S)-
CAS No: 824939-02-8 Catalog No: AG004VD6 MDL No:
Product Description
Catalog Number:
AG004VD6
Chemical Name:
1,2-Cyclohexanediamine, N-methyl-N-(1-methylethyl)-, (1S,2S)-
CAS Number:
824939-02-8
Molecular Formula:
C10H22N2
Molecular Weight:
170.2951
IUPAC Name:
(1S,2S)-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
InChI:
InChI=1S/C10H22N2/c1-8(2)12(3)10-7-5-4-6-9(10)11/h8-10H,4-7,11H2,1-3H3/t9-,10-/m0/s1
InChI Key:
RMTPHTFZJYLTFX-UWVGGRQHSA-N
SMILES:
N[C@H]1CCCC[C@@H]1N(C(C)C)C
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
170.178g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.3g/mol
Monoisotopic Mass:
170.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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