Eperisone Impurity 20

CAT: 1299-RM-E160520-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E160520-02Size:25 mg

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CAS Number

760137-20-0

Synonyms

1- (2,4-diethylphenyl) -2-methyl-3- (piperidin-1-yl) propan-1-one

Molecular Formula

C19H29NO

Molecular Weight

287.45

Product Name Synonym

1- (2,4-diethylphenyl) -2-methyl-3- (piperidin-1-yl) propan-1-one

Chemical Information

Eperisone Impurity 20

CAS Number	760137-20-0
PubChem CID	176485704
IUPAC Name	1-(2,4-diethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
Molecular Formula	C19H29NO
Molecular Weight	287.4
XLogP	4.6
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	322

SMILES

CCC1=CC(=C(C=C1)C(=O)C(C)CN2CCCCC2)CC

InChI

InChI=1S/C19H29NO/c1-4-16-9-10-18(17(5-2)13-16)19(21)15(3)14-20-11-7-6-8-12-20/h9-10,13,15H,4-8,11-12,14H2,1-3H3

InChIKey

YIKFUDSDERYWEB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 760137-20-0

CID: 176485704

Formula: C19H29NO

MW: 287.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.4
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	287.224914549
Monoisotopic Mass	287.224914549
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	322
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