Methadone Impurity 29

CAT: 1299-RM-M052829-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M052829-02Size:25 mg

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CAS Number

5348-94-7

Synonyms

4- (dimethylamino) -2,2-diphenylpentanoic acid

Molecular Formula

C19H23NO2

Molecular Weight

297.39

Target Alternative Name

Methadone

Product Name Synonym

4- (dimethylamino) -2,2-diphenylpentanoic acid

Chemical Information

4-(Dimethylamino)-2,2-diphenylpentanoic acid

CAS Number	5348-94-7
PubChem CID	219704
IUPAC Name	4-(dimethylamino)-2,2-diphenylpentanoic acid
Molecular Formula	C19H23NO2
Molecular Weight	297.4
XLogP	1.5
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	336

SMILES

CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O)N(C)C

InChI

InChI=1S/C19H23NO2/c1-15(20(2)3)14-19(18(21)22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3,(H,21,22)

InChIKey

YGJYNWQCJYLWLV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5348-94-7

CID: 219704

Formula: C19H23NO2

MW: 297.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.4
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	297.172878976
Monoisotopic Mass	297.172878976
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	336
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