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Salbutamol Impurity 32

CAT: 1299-RM-S010258-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S010258-01Size:10 mg
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CAS Number
108956-88-3
Synonyms
5- (2- (tert-butylamino) -1-hydroxyethyl) -2-hydroxybenzoic acid
Molecular Formula
C13H19NO4
Molecular Weight
253.29
Target Alternative Name
Salbutamol
Product Name Synonym
5- (2- (tert-butylamino) -1-hydroxyethyl) -2-hydroxybenzoic acid

Chemical Information

5-(2-(tert-butylamino)-1-hydroxyethyl)-2-hydroxyBenzoic acid
CAS Number108956-88-3
PubChem CID22623314
IUPAC Name5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoic acid
Molecular FormulaC13H19NO4
Molecular Weight253.29
XLogP-0.2
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity287
SMILES
CC(C)(C)NCC(C1=CC(=C(C=C1)O)C(=O)O)O
InChI
InChI=1S/C13H19NO4/c1-13(2,3)14-7-11(16)8-4-5-10(15)9(6-8)12(17)18/h4-6,11,14-16H,7H2,1-3H3,(H,17,18)
InChIKey
KHMZXXLVFHYJFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-(tert-butylamino)-1-hydroxyethyl)-2-hydroxyBenzoic acid
CAS: 108956-88-3
CID: 22623314
Formula: C13H19NO4
MW: 253.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.29
XLogP3-0.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass253.13140809
Monoisotopic Mass253.13140809
Topological Polar Surface Area89.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity287
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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