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3- (Propan-2-yl) cyclohexan-1-amine

CAT: 0926-GAA85037-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-GAA85037-01Size:50 mg
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CAS Number
6850-37-9
MDL Number
MFCD17480370
Smiles
CC (C) C1CCCC (C1) N
Molecular Formula
C9H19N
Molecular Weight
141.25 g/mol
Controlled
No

Chemical Information

3-(Propan-2-yl)cyclohexan-1-amine
CAS Number6850-37-9
PubChem CID19911751
IUPAC Name3-propan-2-ylcyclohexan-1-amine
Molecular FormulaC9H19N
Molecular Weight141.25
XLogP2.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity98
SMILES
CC(C)C1CCCC(C1)N
InChI
InChI=1S/C9H19N/c1-7(2)8-4-3-5-9(10)6-8/h7-9H,3-6,10H2,1-2H3
InChIKey
LTCDIKCILSGJJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Propan-2-yl)cyclohexan-1-amine
CAS: 6850-37-9
CID: 19911751
Formula: C9H19N
MW: 141.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight141.25
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass141.151749610
Monoisotopic Mass141.151749610
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity98.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes