PV8 Hydrochloride

CAT: 0024-sc-477295Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-477295Size:10 mg

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CAS Number

13415-55-9

Chemical Information

alpha-Pyrrolidinoheptaphenone hydrochloride

CAS Number	13415-55-9
PubChem CID	129844528
IUPAC Name	1-phenyl-2-pyrrolidin-1-ylheptan-1-one;hydrochloride
Molecular Formula	C17H26ClNO
Molecular Weight	295.8
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	264

SMILES

CCCCCC(C(=O)C1=CC=CC=C1)N2CCCC2.Cl

InChI

InChI=1S/C17H25NO.ClH/c1-2-3-5-12-16(18-13-8-9-14-18)17(19)15-10-6-4-7-11-15;/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3;1H

InChIKey

WHQOZXALFDXFRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13415-55-9

CID: 129844528

Formula: C17H26ClNO

MW: 295.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	295.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	295.1702921
Monoisotopic Mass	295.1702921
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	264
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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