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3-Phenylcyclohexan-1-amine

CAT: 0926-UAA99243-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-UAA99243-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19992-43-9
MDL Number
MFCD15474859
Smiles
C1CC (CC (C1) N) C2=CC=CC=C2
Molecular Formula
C12H17N
Molecular Weight
175.27 g/mol
Controlled
No

Chemical Information

3-Phenylcyclohexan-1-amine
CAS Number19992-43-9
PubChem CID3028128
IUPAC Name3-phenylcyclohexan-1-amine
Molecular FormulaC12H17N
Molecular Weight175.27
XLogP2.5
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity149
SMILES
C1CC(CC(C1)N)C2=CC=CC=C2
InChI
InChI=1S/C12H17N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2
InChIKey
CJRUDCMOPMVAIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Phenylcyclohexan-1-amine
CAS: 19992-43-9
CID: 3028128
Formula: C12H17N
MW: 175.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight175.27
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass175.136099547
Monoisotopic Mass175.136099547
Topological Polar Surface Area26 Ų
Heavy Atom Count13
Formal Charge0
Complexity149
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