Dapoxetine Impurity 58

CAT: 1299-RM-D162458-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D162458-01Size:10 mg

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CAS Number

22422-27-1

Synonyms

3-chloro-1- (p-tolyl) propan-1-ol

Molecular Formula

C10H13ClO

Molecular Weight

184.66

Target Alternative Name

Dapoxetine

Product Name Synonym

3-chloro-1- (p-tolyl) propan-1-ol

Chemical Information

Benzenemethanol, alpha-(2-chloroethyl)-4-methyl-

CAS Number	22422-27-1
PubChem CID	11788682
IUPAC Name	3-chloro-1-(4-methylphenyl)propan-1-ol
Molecular Formula	C10H13ClO
Molecular Weight	184.66
XLogP	2.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	119

SMILES

CC1=CC=C(C=C1)C(CCCl)O

InChI

InChI=1S/C10H13ClO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5,10,12H,6-7H2,1H3

InChIKey

QJCQUQOXLUQZDH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22422-27-1

CID: 11788682

Formula: C10H13ClO

MW: 184.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.66
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	184.0654927
Monoisotopic Mass	184.0654927
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	119
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	1
Compound Is Canonicalized	Yes