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3-Dehydroxy Salbutamol

CAT: 0572-TRC-D230530-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D230530-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18910-68-4
Synonyms
Salbutamol Sulphate Imp. C (EP); Salbutamol Imp. C (EP); Albuterol USP Related Compound A; Albuterol USP RC A; Benzenemethanol, alpha-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-3-methyl-; Benzyl alcohol, alpha-[(tert-butylamino)methyl]-4-hydroxy-3-methyl- (8CI); alpha-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-3-methylbenzenemethanol; (1RS)-2-[(1,1-Dimethylethyl)amino]-1-(4-hydroxy-3-methylphenyl)ethanol; AH 4045X; USP Albuterol Related Compound A; Ph Eur Salbutamol Impurity C; Desoxysalbutamol base; Albuterol Related Compound A; Levalbuterol Related Compound B; Salbutamol Impurity C; Salbutamol Sulfate Impurity C; Salbutamol Impurity C
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cc1cc(ccc1O)C(O)CNC(C)(C)C
Molecular Formula
C13 H21 N O2
Molecular Weight
223.31
InChI
InChI=1S/C13H21NO2/c1-9-7-10(5-6-11(9)15)12(16)8-14-13(2,3)4/h5-7,12,14-16H,8H2,1-4H3
Additionnal Information
IUPAC name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methylphenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-methylphenol
CAS Number18910-68-4
PubChem CID57368089
IUPAC Name4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methylphenol
Molecular FormulaC13H21NO2
Molecular Weight223.31
XLogP1.6
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity212
SMILES
CC1=C(C=CC(=C1)C(CNC(C)(C)C)O)O
InChI
InChI=1S/C13H21NO2/c1-9-7-10(5-6-11(9)15)12(16)8-14-13(2,3)4/h5-7,12,14-16H,8H2,1-4H3
InChIKey
GELQRPHSNNCPNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-methylphenol
CAS: 18910-68-4
CID: 57368089
Formula: C13H21NO2
MW: 223.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.31
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass223.157228913
Monoisotopic Mass223.157228913
Topological Polar Surface Area52.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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RM-S010233-01Salbutamol Impurity 3
OR1100380-012- (Benzyl (tert-butyl) amino) -1- (4-hydroxy-3- (hydroxymethyl) phenyl) ethanone (Salbutamol Impurity)
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A1328-10Rac Albuterol-d9 (a1-[[ (1,1-Dimethylethyl) amino]methyl]-4-hydroxy-1,3-benzenedimethanol-d9, Salbutamol-d9)
425321-013-Dehydroxy Ezetimibe
HY-21953S3-Dehydroxy Chlorthalidone-d4
MBS122164-01Salbutamol
FD20967Dehydroxy bisoprolol
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