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(4-Chlorophenyl) (cyclobutyl) methanamine

CAT: 0926-UTB48337-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-UTB48337-01Size:50 mg
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CAS Number
1094483-37-0
MDL Number
MFCD11214954
Smiles
C1CC (C1) C (C2=CC=C (C=C2) Cl) N
Molecular Formula
C11H14ClN
Molecular Weight
195.69 g/mol
Controlled
No

Chemical Information

(4-Chlorophenyl)(cyclobutyl)methanamine
CAS Number1094483-37-0
PubChem CID43132101
IUPAC Name(4-chlorophenyl)-cyclobutylmethanamine
Molecular FormulaC11H14ClN
Molecular Weight195.69
XLogP2.7
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
C1CC(C1)C(C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C11H14ClN/c12-10-6-4-9(5-7-10)11(13)8-2-1-3-8/h4-8,11H,1-3,13H2
InChIKey
GISAYPKELLUGOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Chlorophenyl)(cyclobutyl)methanamine
CAS: 1094483-37-0
CID: 43132101
Formula: C11H14ClN
MW: 195.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.69
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass195.0814771
Monoisotopic Mass195.0814771
Topological Polar Surface Area26 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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