Tulobuterol Impurity 17

CAT: 1299-RM-T120217-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T120217-01Size:10 mg

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CAS Number

69240-90-0

Synonyms

2- (tert-butylamino) -2- (2-chlorophenyl) ethanol

Molecular Formula

C12H18ClNO

Molecular Weight

227.73

Target Alternative Name

Tulobuterol

Product Name Synonym

2- (tert-butylamino) -2- (2-chlorophenyl) ethanol

Chemical Information

(2-Chlorophenyl)-1-tert-butylamino-2-ethanol

CAS Number	69240-90-0
PubChem CID	12463920
IUPAC Name	2-(tert-butylamino)-2-(2-chlorophenyl)ethanol
Molecular Formula	C12H18ClNO
Molecular Weight	227.73
XLogP	2.3
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	191

SMILES

CC(C)(C)NC(CO)C1=CC=CC=C1Cl

InChI

InChI=1S/C12H18ClNO/c1-12(2,3)14-11(8-15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3

InChIKey

GCUOCDSZJSGJJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69240-90-0

CID: 12463920

Formula: C12H18ClNO

MW: 227.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.73
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	227.1076919
Monoisotopic Mass	227.1076919
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	191
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