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Alpha-PVP Hydrochloride

CAT: 0572-TRC-D291955-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D291955-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5485-65-4
Synonyms
α-PVP HCl; (±)-α-Pyrrolidinopentiophenone hydrochloride; Pyrrolidinovalerophenone hydrochloride; Pyrrolidinopentiophenone hydrochloride; α-Pyrrolidinovalerophenone Hydrochloride; 1-Pentanone, 1-phenyl-2-(1-pyrrolidinyl)-, hydrochloride (1:1); 1-Pentanone, 1-phenyl-2-(1-pyrrolidinyl)-, hydrochloride (9CI); Valerophenone, 2-(1-pyrrolidinyl)-, hydrochloride (7CI,8CI); 2-(Pyrrolidin-1-yl)-1-phenylpentan-1-one hydrochloride
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cl.CCCC(N1CCCC1)C(=O)c2ccccc2
Molecular Formula
C15 H21 N O . Cl H
Molecular Weight
267.79
InChI
InChI=1S/C15H21NO.ClH/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13;/h3-5,9-10,14H,2,6-8,11-12H2,1H3;1H
Additionnal Information
IUPAC name: 1-phenyl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

alpha-Pyrrolidinopentiophenone hydrochloride
CAS Number5485-65-4
PubChem CID11579868
IUPAC Name1-phenyl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride
Molecular FormulaC15H22ClNO
Molecular Weight267.79
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity239
SMILES
CCCC(C(=O)C1=CC=CC=C1)N2CCCC2.Cl
InChI
InChI=1S/C15H21NO.ClH/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13;/h3-5,9-10,14H,2,6-8,11-12H2,1H3;1H
InChIKey
ROMXVSMENBAYRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Pyrrolidinopentiophenone hydrochloride
CAS: 5485-65-4
CID: 11579868
Formula: C15H22ClNO
MW: 267.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.79
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass267.1389920
Monoisotopic Mass267.1389920
Topological Polar Surface Area20.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity239
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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