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Fenproporex Hydrochloride

CAT: 0572-TRC-F249550-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F249550-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16359-54-9
Synonyms
Propanenitrile, 3-[(1-methyl-2-phenylethyl)amino]-, hydrochloride (1:1); Propanenitrile, 3-[(1-methyl-2-phenylethyl)amino]-, monohydrochloride (9CI); Propionitrile, 3-[(α-methylphenethyl)amino]-, monohydrochloride (6CI,8CI); (±)-3-[(α-Methylphenethyl)amino]propionitrile hydrochloride; (±)-N-2-Cyanoethylamphetamine hydrochloride; 3-[(1-Methyl-2-phenyl)ethylamino]propionitrile hydrochloride; Fenproporex hydrochloride; Gacilin; N-2-Cyanoethylamphetamine hydrochloride; Perphoxene; Solvolip
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.CC(Cc1ccccc1)NCCC#N
Molecular Formula
C12 H16 N2 . Cl H
Molecular Weight
224.73
InChI
InChI=1S/C12H16N2.ClH/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12;/h2-4,6-7,11,14H,5,9-10H2,1H3;1H
Additionnal Information
IUPAC name: 3-(1-phenylpropan-2-ylamino)propanenitrile;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Fenproporex hydrochloride
CAS Number16359-54-9
PubChem CID161245
IUPAC Name3-(1-phenylpropan-2-ylamino)propanenitrile;hydrochloride
Molecular FormulaC12H17ClN2
Molecular Weight224.73
Topological Polar Surface Area35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity186
SMILES
CC(CC1=CC=CC=C1)NCCC#N.Cl
InChI
InChI=1S/C12H16N2.ClH/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12;/h2-4,6-7,11,14H,5,9-10H2,1H3;1H
InChIKey
ZBRZSJUFJUMKIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fenproporex hydrochloride
CAS: 16359-54-9
CID: 161245
Formula: C12H17ClN2
MW: 224.73
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight224.73
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass224.1080262
Monoisotopic Mass224.1080262
Topological Polar Surface Area35.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity186
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