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2-Phenylethylamine HCl

CAT: 0926-FP38682-02Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FP38682-02Size:1 Kg
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CAS Number
156-28-5
MDL Number
MFCD00012893
Smiles
C1=CC=C (C=C1) CCN.Cl
Molecular Formula
C8H11N•HCl
Molecular Weight
157.64 g/mol
Controlled
No

Chemical Information

2-Phenylethylamine hydrochloride
CAS Number156-28-5
PubChem CID9075
IUPAC Name2-phenylethanamine;hydrochloride
Molecular FormulaC8H12ClN
Molecular Weight157.64
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity65
SMILES
C1=CC=C(C=C1)CCN.Cl
InChI
InChI=1S/C8H11N.ClH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
InChIKey
SKHIBNDAFWIOPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylethylamine hydrochloride
CAS: 156-28-5
CID: 9075
Formula: C8H12ClN
MW: 157.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.64
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass157.0658271
Monoisotopic Mass157.0658271
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity65
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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