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2-Aminocyclohexan-1-one hydrochloride

CAT: 0127-OR86272-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR86272-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6946-05-0
Purity
97%
Smiles
O=C1C(N)CCCC1.[H]Cl

Chemical Information

2-Aminocyclohexan-1-one hydrochloride
CAS Number6946-05-0
PubChem CID11275104
IUPAC Name2-aminocyclohexan-1-one;hydrochloride
Molecular FormulaC6H12ClNO
Molecular Weight149.62
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity101
SMILES
C1CCC(=O)C(C1)N.Cl
InChI
InChI=1S/C6H11NO.ClH/c7-5-3-1-2-4-6(5)8;/h5H,1-4,7H2;1H
InChIKey
HGHZKLDCXNJLJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Aminocyclohexan-1-one hydrochloride
CAS: 6946-05-0
CID: 11275104
Formula: C6H12ClNO
MW: 149.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.62
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass149.0607417
Monoisotopic Mass149.0607417
Topological Polar Surface Area43.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity101
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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