Basic information
- CAS
55-59-4- Standard SMILES
COc1ccc(CC(N)C(=O)O)cc1OC- InChIKey
VWTFNYVAFGYEKI-UHFFFAOYSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.10010796
Names & identifiers
- Preferred name
- 3,4-Dimethoxyphenylalanine, DL-
- IUPAC
- 2-amino-3-(3,4-dimethoxyphenyl)propanoic acid
- English name
- (S)-2-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid
- Molecular formula
- C11H15NO4
- Molecular weight
- 225.24
Names & synonyms
55-59-43,4-DimethoxyphenylalanineDL-3,4-Dimethoxyphenylalanine3,4-Dimethoxyphenylalanine, DL-Tyrosine, 3-methoxy-O-methyl-OV6Z38VT4RNSC-12199NSC-121994DTXSID901018930RefChem:1065784DTXCID302193002-amino-3-(3,4-dimethoxyphenyl)propanoic acid
Show more names
Levodopa Impurity 2H-TYR(3-OME,4-ME)-OHLevodopa Impurity 14H-PHE[3,4-(OME) 2]-OHH-3,4-DIMETHOXY-PHE-OHH-PHE(3,4-DIMETHOXY)-OH4-DiMethoxyphenylalanineL-3,4-DIMETHOXYPHENYLALANINE
3,4-Dimethoxy-dl-phenylalanineTyrosine,3-methoxy-O-methyl-MFCD00037201UNII-OV6Z38VT4R(S)-2-Amino-3-(3,4-Dimethoxy-Phenyl)-Propionic Acid3-methoxy-o-methyltyrosineNSC121994Levodopa Impurity N2
Database identifiers
- CAS
55-59-4- PubChem CID
- 275285
- DTXSID
DTXSID901018930- UNII
- OV6Z38VT4R
- EC Number
- 105-863-8、928-902-8
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 254 · 254-257 °C(lit.)
- Boiling point
- 374.3 · 374.3±42.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 2.23 · 2.23±0.20(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 55 · 55-59-4(CAS DataBase Reference)
- FDA UNII
- 6 Z38VT4R · OV6Z38VT4R
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Applications
Uses3-Methoxy-O-methyltyrosine is a starting material in the synthesis of peptide-based metal ion sensors.
Suppliers41 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
Related reactions
2 records
Compound notes
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