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Salbutamol EP Impurity D

CAT: 1596-AR-S01053-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S01053-01Size:10 Units
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CAS Number
156339-88-7
Synonyms
5- (2- (tert-butylamino) -1-hydroxyethyl) -2-hydroxybenzaldehyde;5-[2-[ (1,1-Dimethylethyl) amino]-1-hydroxyethyl]-2-hydroxybenzaldehyde Hemisulfate; USP Levalbuterol Related Compound D; Salbutamol EP Impurity D; Albuterol Aldehyde Hemisulfate
Molecular Formula
C13H19NO3
Molecular Weight
237.3
API Name
Salbutamol

Chemical Information

5-(2-(Tert-butylamino)-1-hydroxyethyl)-2-hydroxybenzaldehyde
CAS Number156339-88-7
PubChem CID57367253
IUPAC Name5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzaldehyde
Molecular FormulaC13H19NO3
Molecular Weight237.29
XLogP0
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity250
SMILES
CC(C)(C)NCC(C1=CC(=C(C=C1)O)C=O)O
InChI
InChI=1S/C13H19NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,8,12,14,16-17H,7H2,1-3H3
InChIKey
RNGYKBNYRUYCIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-(Tert-butylamino)-1-hydroxyethyl)-2-hydroxybenzaldehyde
CAS: 156339-88-7
CID: 57367253
Formula: C13H19NO3
MW: 237.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.29
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass237.13649347
Monoisotopic Mass237.13649347
Topological Polar Surface Area69.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity250
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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