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4-Methoxy-N-methylcyclohexan-1-amine hydrochloride

CAT: 0926-LCC31559-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-LCC31559-01Size:100 mg
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CAS Number
1311315-59-9
MDL Number
MFCD18917255
Smiles
CNC1CCC (CC1) OC.Cl
Molecular Formula
C8H18ClNO
Molecular Weight
179.69 g/mol
Controlled
No

Chemical Information

4-methoxy-N-methylcyclohexan-1-amine hydrochloride
CAS Number1311315-59-9
PubChem CID54593058
IUPAC Name4-methoxy-N-methylcyclohexan-1-amine;hydrochloride
Molecular FormulaC8H18ClNO
Molecular Weight179.69
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity87
SMILES
CNC1CCC(CC1)OC.Cl
InChI
InChI=1S/C8H17NO.ClH/c1-9-7-3-5-8(10-2)6-4-7;/h7-9H,3-6H2,1-2H3;1H
InChIKey
VSUFVISYKAHGKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-methoxy-N-methylcyclohexan-1-amine hydrochloride
CAS: 1311315-59-9
CID: 54593058
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 Count2
Exact Mass179.1076919
Monoisotopic Mass179.1076919
Topological Polar Surface Area21.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity87.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes