Homosibutramine

CAT: 0572-TRC-H615153-5MGSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-H615153-5MGSize:5 mg

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CAS Number

935888-80-5

Hazard Statement

Harmful if swallowed

Smiles

CCN(C)C(CC(C)C)C1(CCC1)c2ccc(Cl)cc2

Molecular Formula

C18 H28 Cl N

Molecular Weight

293.875

InChI

InChI=1S/C18H28ClN/c1-5-20(4)17(13-14(2)3)18(11-6-12-18)15-7-9-16(19)10-8-15/h7-10,14,17H,5-6,11-13H2,1-4H3

Additionnal Information

IUPAC name: 1-[1-(4-chlorophenyl)cyclobutyl]-N-ethyl-N,3-dimethylbutan-1-amine

Shipping Conditions

Room Temperature

Chemical Information

Homosibutramine

CAS Number	935888-80-5
PubChem CID	22959336
IUPAC Name	1-[1-(4-chlorophenyl)cyclobutyl]-N-ethyl-N,3-dimethylbutan-1-amine
Molecular Formula	C18H28ClN
Molecular Weight	293.9
XLogP	5.8
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	290

SMILES

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

InChI

InChI=1S/C18H28ClN/c1-5-20(4)17(13-14(2)3)18(11-6-12-18)15-7-9-16(19)10-8-15/h7-10,14,17H,5-6,11-13H2,1-4H3

InChIKey

NZPIBRZKTJQXPY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 935888-80-5

CID: 22959336

Formula: C18H28ClN

MW: 293.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.9
XLogP3	5.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	293.1910276
Monoisotopic Mass	293.1910276
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	290
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