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1-Phenylethylamine hydrochloride

CAT: 0127-OR911011Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR911011Size:1 Each
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CAS Number
13437-79-1
MDL Number
MFCD01732454
Purity
95%
Smiles
Cl.CC(N)c1ccccc1

Chemical Information

1-Phenylethylamine hydrochloride
CAS Number13437-79-1
PubChem CID30383
IUPAC Name1-phenylethylazanium chloride
Molecular FormulaC8H12ClN
Molecular Weight157.64
Topological Polar Surface Area27.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity74
SMILES
CC(C1=CC=CC=C1)[NH3+].[Cl-]
InChI
InChI=1S/C8H11N.ClH/c1-7(9)8-5-3-2-4-6-8;/h2-7H,9H2,1H3;1H
InChIKey
YEHGSOZIZRABBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenylethylamine hydrochloride
CAS: 13437-79-1
CID: 30383
Formula: C8H12ClN
MW: 157.64
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.64
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass157.0658271
Monoisotopic Mass157.0658271
Topological Polar Surface Area27.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity74.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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