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4-Amino-1-methylcyclohexan-1-ol

CAT: 0127-OR1021648Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1021648Size:1 Each
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CAS Number
233764-32-4
Purity
=95%
Smiles
CC1(O)CCC(N)CC1

Chemical Information

Trans-4-amino-1-methyl-cyclohexanol
CAS Number233764-32-4
PubChem CID18331273
IUPAC Name4-amino-1-methylcyclohexan-1-ol
Molecular FormulaC7H15NO
Molecular Weight129.20
XLogP0.1
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity95
SMILES
CC1(CCC(CC1)N)O
InChI
InChI=1S/C7H15NO/c1-7(9)4-2-6(8)3-5-7/h6,9H,2-5,8H2,1H3
InChIKey
KUKASNZJTIKRMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trans-4-amino-1-methyl-cyclohexanol
CAS: 233764-32-4
CID: 18331273
Formula: C7H15NO
MW: 129.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.20
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass129.115364102
Monoisotopic Mass129.115364102
Topological Polar Surface Area46.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity95.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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