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b-Methylphenethylamine Hydrochloride

CAT: 0572-TRC-M324780-100GSize: 100 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-M324780-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20388-87-8
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
Cl.CC(CN)c1ccccc1
Molecular Formula
C9 H13 N . Cl H
Molecular Weight
171.67
InChI
InChI=1S/C9H13N.ClH/c1-8(7-10)9-5-3-2-4-6-9;/h2-6,8H,7,10H2,1H3;1H
Additionnal Information
IUPAC name: 2-phenylpropan-1-amine;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Phenylpropylamine hydrochloride
CAS Number20388-87-8
PubChem CID89332
IUPAC Name2-phenylpropan-1-amine;hydrochloride
Molecular FormulaC9H14ClN
Molecular Weight171.67
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity84
SMILES
CC(CN)C1=CC=CC=C1.Cl
InChI
InChI=1S/C9H13N.ClH/c1-8(7-10)9-5-3-2-4-6-9;/h2-6,8H,7,10H2,1H3;1H
InChIKey
HBVYOCJBEXSCQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylpropylamine hydrochloride
CAS: 20388-87-8
CID: 89332
Formula: C9H14ClN
MW: 171.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.67
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass171.0814771
Monoisotopic Mass171.0814771
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity84.7
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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