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Home Halogens 3-bromo-alpha-[[(1,1-dimethylethyl)amino]methyl]isoxazole-5-methanol

3-bromo-alpha-[[(1,1-dimethylethyl)amino]methyl]isoxazole-5-methanol

CAS No.:
76596-57-1
Catalog Number:
AG00G55H
Molecular Formula:
C9H15BrN2O2
Molecular Weight:
263.1316
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Product Description
Catalog Number:
AG00G55H
Chemical Name:
3-bromo-alpha-[[(1,1-dimethylethyl)amino]methyl]isoxazole-5-methanol
CAS Number:
76596-57-1
Molecular Formula:
C9H15BrN2O2
Molecular Weight:
263.1316
MDL Number:
MFCD00868978
IUPAC Name:
1-(3-bromo-1,2-oxazol-5-yl)-2-(tert-butylamino)ethanol
InChI:
InChI=1S/C9H15BrN2O2/c1-9(2,3)11-5-6(13)7-4-8(10)12-14-7/h4,6,11,13H,5H2,1-3H3
InChI Key:
JBRBWHCVRGURBA-UHFFFAOYSA-N
SMILES:
OC(c1onc(c1)Br)CNC(C)(C)C
EC Number:
278-494-4
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.032g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
263.135g/mol
Monoisotopic Mass:
262.032g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Novel mutants of the human beta1-adrenergic receptor reveal amino acids relevant for receptor activation. The Journal of biological chemistry 20060630
Comparative pharmacology of human beta-adrenergic receptor subtypes--characterization of stably transfected receptors in CHO cells. Naunyn-Schmiedeberg's archives of pharmacology 20040201
Properties