Salbutamol EP Impurity B

CAT: 1299-RM-S010202-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S010202-01Size:10 mg

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CAS Number

96948-64-0

Synonyms

4-[2- (tert-Butylamino) -1-hydroxyethyl]phenol

Molecular Formula

C12H19NO2

Molecular Weight

209.28

Target Alternative Name

Salbutamol

Product Name Synonym

4-[2- (tert-Butylamino) -1-hydroxyethyl]phenol

Chemical Information

alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol

structure given in first source

CAS Number	96948-64-0
PubChem CID	23844
IUPAC Name	4-[2-(tert-butylamino)-1-hydroxyethyl]phenol
Molecular Formula	C12H19NO2
Molecular Weight	209.28
XLogP	0.4
Topological Polar Surface Area	52.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	181

SMILES

CC(C)(C)NCC(C1=CC=C(C=C1)O)O

InChI

InChI=1S/C12H19NO2/c1-12(2,3)13-8-11(15)9-4-6-10(14)7-5-9/h4-7,11,13-15H,8H2,1-3H3

InChIKey

JOGFUYPGDLRKHD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 96948-64-0

CID: 23844

Formula: C12H19NO2

MW: 209.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.28
XLogP3	0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	209.141578849
Monoisotopic Mass	209.141578849
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	181
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

Catalog	Name
RM-S010201-01	Salbutamol EP Impurity A
RM-S010203-01	Salbutamol EP Impurity C
RM-S010210-01	Salbutamol EP Impurity J
RM-S010207-01	Salbutamol EP Impurity G
RM-S010205-01	Salbutamol EP Impurity E
RM-S010208-01	Salbutamol EP Impurity H
RM-S010209-01	Salbutamol EP Impurity I
RM-S010206-01	Salbutamol EP Impurity F
RM-S010204-01	Salbutamol EP Impurity D
RM-S010217-01	Salbutamol Sulfate EP Impurity P

Catalog	Name
TRC-S774480-750MG	salbutamol impurity
AR-S09802-01	Salbutamol Impurity 8
AR-S09806-01	Salbutamol Impurity 16
AR-S09815-01	Salbutamol Impurity 25
AR-S09818-01	Salbutamol Impurity 27
AR-S09826-01	Salbutamol Impurity 38
AR-S01081-01	Salbutamol Impurity 4
AR-S01065-01	Salbutamol Glyoxal Impurity
AR-S01055-01	Salbutamol EP Impurity A
TRC-S085545-75MG	Salbutamol Impurity P