Basic information
- CAS
451-28-5- Standard SMILES
C[C@H](NC(=O)c1ccc(F)cc1)C(=O)O- InChIKey
RICKYTLEGMVQTI-LURJTMIESA-N- Molecular formula
- C10H10FNO3
- Average molar mass
- 211.19 g/mol
- Monoisotopic mass
- 211.0644714
Names & identifiers
- Preferred name
- Alanine, N-(4-fluorobenzoyl)-
- IUPAC
- (2S)-2-[(4-fluorobenzoyl)amino]propanoic acid
- English name
- 2-(4-Fluorobenzoyl)aminopropionic acid
- Molecular formula
- C10H10FNO3
- Molecular weight
- 211.19
Names & synonyms
Alanine, N-(4-fluorobenzoyl)-(2S)-2-[(4-fluorobenzoyl)amino]propanoic acidN-(4-Fluorobenzoyl)-L-alanineSCHEMBL3995339T0519-0887DTXSID40352676RICKYTLEGMVQTI-LURJTMIESA-NAKOS001039473(s)-2-(4-fluoro-benzoylamino)-propionic acidZ56936647AURORA 4698AKOS BBS-00007614
Show more names
TIMTEC-BB SBB004604N-(4-fluorobenzoyl)alanine2-(4-Fluorobenzamido)propanoic acid2-(4-Fluorobenzoyl)aminopropionic acid(S)-2-(4-fluorobenzamido)propanoic acid2-[(4-fluorobenzoyl)amino]propanoic acid(2S)-2-[(4-fluorobenzoyl)amino]propionic acid
Database identifiers
- CAS
451-28-5- PubChem CID
- 732160
- DTXSID
DTXSID40352676- Nikkaji
- J991.170G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 420.909 · 420.909±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.332 · 3.332±0.10(predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
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Shanxi Xuanran Import and Export Trade Co., Ltd.+8617735180244 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
Related reactions
1 records
Compound notes
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