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3- (Dimethylamino) cyclohexan-1-ol hydrochloride

CAT: 0926-KQD93673-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-KQD93673-01Size:250 mg
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CAS Number
2260936-73-8
MDL Number
MFCD31737256
Smiles
CN (C) C1CCCC (C1) O.Cl
Molecular Formula
C8H18ClNO
Molecular Weight
179.7 g/mol
Controlled
No

Chemical Information

3-(Dimethylamino)cyclohexan-1-ol hydrochloride
CAS Number2260936-73-8
PubChem CID137795170
IUPAC Name3-(dimethylamino)cyclohexan-1-ol;hydrochloride
Molecular FormulaC8H18ClNO
Molecular Weight179.69
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity103
SMILES
CN(C)C1CCCC(C1)O.Cl
InChI
InChI=1S/C8H17NO.ClH/c1-9(2)7-4-3-5-8(10)6-7;/h7-8,10H,3-6H2,1-2H3;1H
InChIKey
MBQMFGCEHCJMHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Dimethylamino)cyclohexan-1-ol hydrochloride
CAS: 2260936-73-8
CID: 137795170
Formula: C8H18ClNO
MW: 179.69
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight179.69
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass179.1076919
Monoisotopic Mass179.1076919
Topological Polar Surface Area23.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes