Di-O-methyl alpha-Ethyl DL-DOPA
Basic information
- CAS
21231-75-4- Standard SMILES
CCC(N)(Cc1ccc(OC)c(OC)c1)C(=O)O- InChIKey
YBORVBLJZJWGGM-UHFFFAOYSA-N- Molecular formula
- C13H19NO4
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.13140809
Names & identifiers
- Preferred name
- Di-O-methyl alpha-Ethyl DL-DOPA
- IUPAC
- 2-amino-2-[(3,4-dimethoxyphenyl)methyl]butanoic acid
- English name
- Di-O-Methyl α-Ethyl DL-DOPA
- Molecular formula
- C13H19NO4
- Molecular weight
- 253.29
Names & synonyms
Di-O-methyl alpha-Ethyl DL-DOPA21231-75-42-amino-2-[(3,4-dimethoxyphenyl)methyl]butanoic acidSCHEMBL7277295Di-O-Methyl α-Ethyl DL-DOPAα-Ethyl-3-Methoxy-O-Methyl-DL-tyrosinedl-α-Ethyl-β-(3,4-dimethoxyphenyl)alaninDi-O-methyl α-Ethyl DL-DOPA, CAS 21231-75-4DL-α-AMino-α-ethyl-3,4-diMethoxy-hydrocinnaMic AcidHydrocinnamic acid, α-amino-α-ethyl-3,4-dimethoxy-, DL- (8CI)
Database identifiers
- CAS
21231-75-4- PubChem CID
- 21295087
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 243 · 243-244 °C
- Boiling point
- 392.192 · 392.192±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- soluble in Acetone, DMSO, Methanol
- form
- Solid
- pka
- 2.267 · 2.267±0.26(predicted)
- color
- White to Off-White
Chemistry & industry
Applications
UsesProtected α-Ethyl DOPA.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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