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rac Alpha-Ethyl DOPA Hydrobromide

CAT: 0572-TRC-E917280-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E917280-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1329833-85-3
Synonyms
L-alpha-Amino-alpha-(3,4-dihydroxybenzyl)butyric Acid Hydrobromide; alpha-Ethyl-3-hydroxy-L-tyrosine Hydrobromide;
Hazard Statement
No Data Available
Smiles
Br.CCC(N)(Cc1ccc(O)c(O)c1)C(=O)O
Molecular Formula
C11H16BrNO4
Molecular Weight
306.15
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

rac a-Ethyl DOPA Hydrobromide
CAS Number1329833-85-3
PubChem CID71316566
IUPAC Name2-amino-2-[(3,4-dihydroxyphenyl)methyl]butanoic acid;hydrobromide
Molecular FormulaC11H16BrNO4
Molecular Weight306.15
Topological Polar Surface Area104
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity258
SMILES
CCC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.Br
InChI
InChI=1S/C11H15NO4.BrH/c1-2-11(12,10(15)16)6-7-3-4-8(13)9(14)5-7;/h3-5,13-14H,2,6,12H2,1H3,(H,15,16);1H
InChIKey
AIUVUJQXEMPCTK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of rac a-Ethyl DOPA Hydrobromide
CAS: 1329833-85-3
CID: 71316566
Formula: C11H16BrNO4
MW: 306.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.15
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass305.02627
Monoisotopic Mass305.02627
Topological Polar Surface Area104 Ų
Heavy Atom Count17
Formal Charge0
Complexity258
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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