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Terbutaline Impurity 21 HBr

CAT: 1596-AR-T04490-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T04490-01Size:10 Units
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CAS Number
2459974-80-0
Synonyms
5- (2- (tert-butylamino) ethyl) benzene-1,3-diol, hydrobromide (1:1)
Molecular Formula
C12H19NO2. HBr
Molecular Weight
209.29 80.91
API Name
Terbutaline

Chemical Information

5-[2-(Tert-butylamino)ethyl]benzene-1,3-diol;hydrobromide
CAS Number2459974-80-0
PubChem CID175673706
IUPAC Name5-[2-(tert-butylamino)ethyl]benzene-1,3-diol;hydrobromide
Molecular FormulaC12H20BrNO2
Molecular Weight290.20
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity179
SMILES
CC(C)(C)NCCC1=CC(=CC(=C1)O)O.Br
InChI
InChI=1S/C12H19NO2.BrH/c1-12(2,3)13-5-4-9-6-10(14)8-11(15)7-9;/h6-8,13-15H,4-5H2,1-3H3;1H
InChIKey
UXJVJKCQGNJLIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[2-(Tert-butylamino)ethyl]benzene-1,3-diol;hydrobromide
CAS: 2459974-80-0
CID: 175673706
Formula: C12H20BrNO2
MW: 290.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.20
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass289.06774
Monoisotopic Mass289.06774
Topological Polar Surface Area52.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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