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N-Propylamphetamine Hydrochloride

CAT: 0572-TRC-P831900-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P831900-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
59877-57-5
Synonyms
α-Methyl-N-propylbenzeneethanamine Hydrochloride (1:1); Benzeneethanamine, α-methyl-N-propyl-, hydrochloride (9CI); Benzeneethanamine, α-methyl-N-propyl-, hydrochloride, (±)-; (±)-N-Propylamphetamine hydrochloride; N-Propylamphetamine Hydrochloride
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.CCCNC(C)Cc1ccccc1
Molecular Formula
C12 H19 N . Cl H
Molecular Weight
213.75
InChI
InChI=1S/C12H19N.ClH/c1-3-9-13-11(2)10-12-7-5-4-6-8-12;/h4-8,11,13H,3,9-10H2,1-2H3;1H
Additionnal Information
IUPAC name: 1-phenyl-N-propylpropan-2-amine;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-(1-Phenylpropan-2-yl)propan-1-amine--hydrogen chloride (1/1)
CAS Number59877-57-5
PubChem CID213537
IUPAC Name1-phenyl-N-propylpropan-2-amine;hydrochloride
Molecular FormulaC12H20ClN
Molecular Weight213.75
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity116
SMILES
CCCNC(C)CC1=CC=CC=C1.Cl
InChI
InChI=1S/C12H19N.ClH/c1-3-9-13-11(2)10-12-7-5-4-6-8-12;/h4-8,11,13H,3,9-10H2,1-2H3;1H
InChIKey
NSSZJVPOQFTJGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-Phenylpropan-2-yl)propan-1-amine--hydrogen chloride (1/1)
CAS: 59877-57-5
CID: 213537
Formula: C12H20ClN
MW: 213.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.75
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass213.1284273
Monoisotopic Mass213.1284273
Topological Polar Surface Area12 Ų
Heavy Atom Count14
Formal Charge0
Complexity116
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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