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Methyldopa EP Impurity C

CAT: 1596-AR-D02237-02Size: 150Dry Ice: NoHazardous: No
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CAS Number
39948-18-0
Synonyms
(S) -2-amino-3- (3,4-dimethoxyphenyl) -2-methylpropanoic acid;3-Methoxy-O, ?-dimethyl-L-tyrosine Hydrochloride; L-?-Amino-?-methyl-?- (3,4-dimethoxyphenyl) propionic Acid Hydrochloride; ?-Methyl-3,4-dimethoxy-L-phenylalanine Hydrochloride; 3- (3,4-Dimethoxyphenyl) -2-methyl-L-alanine Hydrochloride; Methyldopa EP Impurity C; L-?-Methyl DOPA Dimethyl Ether Hydrochloride
Molecular Formula
C12H17NO4
Molecular Weight
239.27
API Name
Dopa

Chemical Information

3-Methoxy-O,alpha-dimethyl-L-tyrosine
CAS Number39948-18-0
PubChem CID195139
IUPAC Name(2S)-2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
Molecular FormulaC12H17NO4
Molecular Weight239.27
XLogP-1.7
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity271
SMILES
C[C@](CC1=CC(=C(C=C1)OC)OC)(C(=O)O)N
InChI
InChI=1S/C12H17NO4/c1-12(13,11(14)15)7-8-4-5-9(16-2)10(6-8)17-3/h4-6H,7,13H2,1-3H3,(H,14,15)/t12-/m0/s1
InChIKey
QCCQWLWXLUTSAK-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy-O,alpha-dimethyl-L-tyrosine
CAS: 39948-18-0
CID: 195139
Formula: C12H17NO4
MW: 239.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.27
XLogP3-1.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass239.11575802
Monoisotopic Mass239.11575802
Topological Polar Surface Area81.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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