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2-(4-Chlorophenyl)ethylamine

CAT: 0572-TRC-C377640-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C377640-25GSize:25 g
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CAS Number
156-41-2
Synonyms
1-Amino-2-(p-chlorophenyl)ethane; 2-(4-Chlorophenyl)ethanamine; 2-(4-Chlorophenyl)ethylamine; 2-(p-Chlorophenyl)-1-ethylamine; 2-(p-Chlorophenyl)ethylamine; 4-Chloro-b-phenethylamine; 4-Chloro-b-phenylethylamine; 4-Chlorobenzeneethanamine; 4-Chlorophenethylamine; [(4-Chlorophenyl)ethyl]amine; p-Chloro-b-phenylethylamine; p-Chlorophenethylamine; p-Chlorophenylethylamine
Hazard Statement
No Data Available
Smiles
ClC1=CC=C(CCN)C=C1
Molecular Formula
C8H10ClN
Molecular Weight
155.62
InChI
InChI=1S/C8H10ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
Additionnal Information
IUPAC name: 2-(4-chlorophenyl)ethan-1-amine
Shipping Conditions
Room Temperature

Chemical Information

2-(4-Chlorophenyl)ethylamine

RN given refers to parent cpd

CAS Number156-41-2
PubChem CID67430
IUPAC Name2-(4-chlorophenyl)ethanamine
Molecular FormulaC8H10ClN
Molecular Weight155.62
XLogP1.9
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity87
SMILES
C1=CC(=CC=C1CCN)Cl
InChI
InChI=1S/C8H10ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey
SRXFXCKTIGELTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Chlorophenyl)ethylamine
CAS: 156-41-2
CID: 67430
Formula: C8H10ClN
MW: 155.62
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight155.62
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass155.0501770
Monoisotopic Mass155.0501770
Topological Polar Surface Area26 Ų
Heavy Atom Count10
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 Count1
Compound Is CanonicalizedYes

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