Sibutramine Impurity 38 controlled substance

CAT: 1299-RM-S022038-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S022038-01Size:10 mg

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CAS Number

168835-59-4

Synonyms

1- (1- (4-chlorophenyl) cyclobutyl) -N,3-dimethylbutan-1-amine

Molecular Formula

C16H24ClN

Molecular Weight

265.83

Target Alternative Name

Sibutramine

Product Name Synonym

1- (1- (4-chlorophenyl) cyclobutyl) -N,3-dimethylbutan-1-amine

Chemical Information

N-Desmethylsibutramine

CAS Number	168835-59-4
PubChem CID	10199199
IUPAC Name	1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine
Molecular Formula	C16H24ClN
Molecular Weight	265.82
XLogP	5
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	252

SMILES

CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)NC

InChI

InChI=1S/C16H24ClN/c1-12(2)11-15(18-3)16(9-4-10-16)13-5-7-14(17)8-6-13/h5-8,12,15,18H,4,9-11H2,1-3H3

InChIKey

PLXKZKLXYHLWHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 168835-59-4

CID: 10199199

Formula: C16H24ClN

MW: 265.82

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.82
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	265.1597275
Monoisotopic Mass	265.1597275
Topological Polar Surface Area	12 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	252
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

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