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3- (4-Chlorophenyl) cyclohexan-1-amine

CAT: 0926-QDC14098-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-QDC14098-01Size:50 mg
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CAS Number
1340140-98-8
MDL Number
MFCD20337617
Smiles
C1CC (CC (C1) N) C2=CC=C (C=C2) Cl
Molecular Formula
C12H16ClN
Molecular Weight
209.71 g/mol
Controlled
No

Chemical Information

3-(4-Chlorophenyl)cyclohexan-1-amine
CAS Number1340140-98-8
PubChem CID64504827
IUPAC Name3-(4-chlorophenyl)cyclohexan-1-amine
Molecular FormulaC12H16ClN
Molecular Weight209.71
XLogP3.1
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity175
SMILES
C1CC(CC(C1)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H16ClN/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h4-7,10,12H,1-3,8,14H2
InChIKey
QHGWVAJKFGMLOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Chlorophenyl)cyclohexan-1-amine
CAS: 1340140-98-8
CID: 64504827
Formula: C12H16ClN
MW: 209.71
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight209.71
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass209.0971272
Monoisotopic Mass209.0971272
Topological Polar Surface Area26 Ų
Heavy Atom Count14
Formal Charge0
Complexity175
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