ChemicalBook--->CAS DataBase List--->96948-64-0

96948-64-0

96948-64-0 Structure

96948-64-0 Structure
IdentificationBack Directory
[Name]

KWD 2066
[CAS]

96948-64-0
[Synonyms]

KWD 2066
Salbutamol EP Imp B
t-Butylnorsynephrine
Albuterol EP Impurity B
Salbutamol EP Impurity B
4-[2-(tert-Butylamino)-1-hydroxyethyl]phenol
2-tert-Butylamino-1-(4-hydroxyphenyl)ethanol
Salbutamol Impurity 2(Salbutamol EP Impurity B)
4-{1-Hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}phenol
(1RS)-2-[(1,1-Dimethylethyl)-amino]-1-(4-hydroxyphenyl)ethano
Benzenemethanol, α-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-
Imp. B (EP):(1RS)-2-[(1,1-Dimethylethyl)-amino]-1-(4-hydroxyphenyl)ethano
Salbutamol EP Impurity B (Salbutamol Deshydroxymethyl Impurity/ t-Butylnorsynephrine)
[Molecular Formula]

C12H19NO2
[MDL Number]

MFCD01732936
[MOL File]

96948-64-0.mol
[Molecular Weight]

209.28
Chemical PropertiesBack Directory
[Melting point ]

172-173.5 °C
[Boiling point ]

361.8±27.0 °C(Predicted)
[density ]

1.079±0.06 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, Refrigerator, under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

9.97±0.26(Predicted)
[color ]

Off-White
[Stability:]

Hygroscopic
[Major Application]

pharmaceutical
pharmaceutical small molecule
[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
[SMILES]

N(C(C)(C)C)CC(O)c1ccc(cc1)O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P302+P352-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

t-Butylnorsynephrine is a derivative of norsynephrine, an endogenous biogenic amine that is closely related to norepinephrine, which has effects on the adrenergic and dopaminergic system. Structure and activity tudies have shown that t-Butylnorsynephrine may also exhibit effects towards β-adrenergic receptors and β-adrenergic receptor-coupled adenylate cyclase.
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