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1195-42-2 | Cyclohexanamine, N-(1-methylethyl)-
CAS No: 1195-42-2 Catalog No: AG000IWK MDL No:MFCD00003831
Product Description
Catalog Number:
AG000IWK
Chemical Name:
Cyclohexanamine, N-(1-methylethyl)-
CAS Number:
1195-42-2
Molecular Formula:
C9H19N
Molecular Weight:
141.2539
MDL Number:
MFCD00003831
IUPAC Name:
N-propan-2-ylcyclohexanamine
InChI:
InChI=1S/C9H19N/c1-8(2)10-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3
InChI Key:
UYYCVBASZNFFRX-UHFFFAOYSA-N
SMILES:
CC(NC1CCCCC1)C
EC Number:
214-798-5
NSC Number:
86132
Properties
Complexity:
82.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.152g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.258g/mol
Monoisotopic Mass:
141.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Determination of the conformations and relative configurations of exocyclic amines. | Magnetic resonance in chemistry : MRC 20101201 |
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