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2-Phenylcyclohexan-1-amine hydrochlorides

CAT: 0926-XAA72050-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-XAA72050-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22720-50-9
MDL Number
MFCD27953540
Smiles
C1CCC (C (C1) C2=CC=CC=C2) N.Cl
Molecular Formula
C12H18ClN
Molecular Weight
211.7 g/mol
Controlled
No

Chemical Information

2-Phenylcyclohexan-1-amine hydrochloride
CAS Number22720-50-9
PubChem CID3028126
IUPAC Name2-phenylcyclohexan-1-amine;hydrochloride
Molecular FormulaC12H18ClN
Molecular Weight211.73
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity149
SMILES
C1CCC(C(C1)C2=CC=CC=C2)N.Cl
InChI
InChI=1S/C12H17N.ClH/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-3,6-7,11-12H,4-5,8-9,13H2;1H
InChIKey
FPWNXZWCBDBELJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylcyclohexan-1-amine hydrochloride
CAS: 22720-50-9
CID: 3028126
Formula: C12H18ClN
MW: 211.73
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight211.73
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass211.1127773
Monoisotopic Mass211.1127773
Topological Polar Surface Area26 Ų
Heavy Atom Count14
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 Count2
Compound Is CanonicalizedYes