Basic information
- CAS
603105-74-4- Standard SMILES
COc1ccc(CC(N)C(=O)O)cc1Cl- InChIKey
FVFCTFGTAWTEIF-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO3
- Average molar mass
- 229.66 g/mol
- Monoisotopic mass
- 229.0505709
Names & identifiers
- Preferred name
- 3-Chloro-O-methyltyrosine
- IUPAC
- 2-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
- English name
- 3-Chloro-O-methyl-DL-tyrosine
- Molecular formula
- C10H12ClNO3
- Molecular weight
- 229.66
Names & synonyms
603105-74-43-chloro-O-methyltyrosineRefChem:2785722-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid3-chloro-o-methyl-d-tyrosine212252-91-03-Chloro-O-methyl-DL-tyrosineSCHEMBL5973191DTXSID501312625AKOS014354861CS-0344500EN300-1986265
Show more names
Tyrosine, 3-chloro-O-methyl-
2-amino-3-(3-chloro-4-methoxy-phenyl)propanoic acid
Database identifiers
- CAS
603105-74-4- PubChem CID
- 413336
- DTXSID
DTXSID501312625
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 377.3 · 377.3±42.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- 2.2 · 2.20±0.20(Predicted)
Chemistry & industry
Suppliers2 total
天津星瀚生物科技有限公司13230698506 18698089028 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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