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1-phenyl-2-(1-pyrrolidinyl)-1-Hexanone

CAT: 0572-TRC-P152300-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P152300-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13415-86-6
Synonyms
1-phenyl-2-(1-pyrrolidinyl)-1-Hexanone; 1-Hexanone, 1-phenyl-2-(1-pyrrolidinyl)-; Hexanophenone, 2-(1-pyrrolidinyl)- (7CI,8CI); 1-Phenyl-2-(1-pyrrolidinyl)-1-hexanone; 2-(1-Pyrrolidinyl)hexanophenone; α-Pyrrolidinohexanophenone; alpha-PHP; α-PHP; PV-7; 1-Phenyl-2-(pyrrolidin-1-yl)hexan-1-one
Hazard Statement
No Data Available
Smiles
CCCCC(N1CCCC1)C(=O)c2ccccc2
Molecular Formula
C16 H23 N O
Molecular Weight
245.36
InChI
InChI=1S/C16H23NO/c1-2-3-11-15(17-12-7-8-13-17)16(18)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
Additionnal Information
IUPAC name: 1-phenyl-2-pyrrolidin-1-ylhexan-1-one
Shipping Conditions
Room Temperature

Chemical Information

alpha-PHP

alpha-Pyrrolidinohexanophenone is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse. It is a Hallucinogenic substances substance.

CAS Number13415-86-6
PubChem CID102107923
IUPAC Name1-phenyl-2-pyrrolidin-1-ylhexan-1-one
Molecular FormulaC16H23NO
Molecular Weight245.36
XLogP4
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity252
SMILES
CCCCC(C(=O)C1=CC=CC=C1)N2CCCC2
InChI
InChI=1S/C16H23NO/c1-2-3-11-15(17-12-7-8-13-17)16(18)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
InChIKey
KYIJLDDXQWBNGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-PHP
CAS: 13415-86-6
CID: 102107923
Formula: C16H23NO
MW: 245.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.36
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass245.177964357
Monoisotopic Mass245.177964357
Topological Polar Surface Area20.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity252
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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