Basic information
- CAS
1043500-56-6- Standard SMILES
Cc1ccc(F)c(CC(N)C(=O)O)c1F- InChIKey
IIGDCGWXCMGHPG-UHFFFAOYSA-N- Molecular formula
- C10H11F2NO2
- Average molar mass
- 215.2 g/mol
Names & identifiers
- Preferred name
- 2-Amino-3-(2,6-difluoro-3-methylphenyl)propanoic acid
- IUPAC
- 2-amino-3-(2,6-difluoro-3-methylphenyl)propanoic acid
- English name
- 2,6-Difluoro-3-methyl-DL-phenylalanine
- Molecular formula
- C10H11F2NO2
- Molecular weight
- 215.2
Names & synonyms
1043500-56-62,6-DIFLUORO-3-METHYL-DL-PHENYLALANINE2-amino-3-(2,6-difluoro-3-methylphenyl)propanoic acidMFCD06660183SBB095088AKOS015956579CS-0440427EN300-18500482-amino-3-(2,6-difluoro-3-methylphenyl)propanoicacid2-amino-3-(2,6-difluoro-3-methyl-phenyl)propanoic acid2,6-Difluoro-3-methyl-DL-phenylalanine (H-DL-Phe(2,6-diF,3-Me)-OH)Phenylalanine, 2,6-difluoro-3-methyl-
Database identifiers
- CAS
1043500-56-6
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 315.7 · 315.7±42.0 °C(Predicted)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- pka
- 2.21 · 2.21±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352
- HS Code
- 2922498590 · 2922498590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352
Chemistry & industry
Suppliers2 total
天津星瀚生物科技有限公司13230698506 18698089028 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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