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Clobutinol

CAT: 0013-GTR19188085-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188085-02Size:50 mg
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Description
Clobutinol
CAS Number
14860-49-2
Field of Research
Pharmacology & Drug Discovery
Smiles
C (C (C (CN (C) C) C) (C) O) C1=CC=C (Cl) C=C1
Molecular Formula
C14H22ClNO
Molecular Weight
255.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Clobutinol

1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethyl-2-butanol is a member of benzenes and an organic amino compound.

CAS Number14860-49-2
PubChem CID26937
IUPAC Name1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol
Molecular FormulaC14H22ClNO
Molecular Weight255.78
XLogP3.2
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity226
SMILES
CC(CN(C)C)C(C)(CC1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3
InChIKey
KVHHQGIIZCJATJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clobutinol
CAS: 14860-49-2
CID: 26937
Formula: C14H22ClNO
MW: 255.78
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.78
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass255.1389920
Monoisotopic Mass255.1389920
Topological Polar Surface Area23.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity226
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T60393-01Clobutinol
TRC-C583600-250MGClobutinol Hydrochloride
OR1005406Clobutinol (hydrochloride)
AR-C03161-01Clobutinol HCl
AR-C09081-01Clobutinol Impurity F
AR-C08023-01Clobutinol HCl-d6
AR-C05526-01Clobutinol Impurity 5
HY-148144AR-01Clobutinol (hydrochloride) (Standard)
444880-01Clobutinol Hydrochloride-d6
AR-C08022-01Clobutinol Impurity 4

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