Basic information
- CAS
16652-37-2- Standard SMILES
NC(CF)C(=O)O- InChIKey
UYTSRQMXRROFPU-UHFFFAOYSA-N- Molecular formula
- C3H6FNO2
- Average molar mass
- 107.08 g/mol
Overview
antibacterial agent active against gram-positive & gram-negative bacteria; generated by C-fluorination of key component of bacterial cell wall; synthesized by photofluorination of D-alanine; RN given refers to cpd with unspecified isomeric designation; structure
Names & identifiers
- Preferred name
- 3-Fluoroalanine
- IUPAC
- 2-amino-3-fluoropropanoic acid
- English name
- BETA-FLUORO-DL-ALANINE
- Molecular formula
- C3H6FNO2
- Molecular weight
- 107.08
Names & synonyms
3-Fluoroalanine43163-93-5beta-FluoroalanineRefChem:911326DTXCID00814144DTXSID808657752-amino-3-fluoropropanoic acid16652-37-23-Fluoro-DL-alanineBETA-FLUORO-DL-ALANINEH-beta-Fluoro-DL-Ala-OHMFCD00077524
Show more names
H-DL-ALA(3-F)-OHβ-Fluoro-DL-alanineH-b-Fluoro-DL-Ala-OHH-β-Fluoro-DL-Ala-OHDL-3-FLUORO-2-ALANINEH-DL-BETA-FLUOROALA-OH
Alanine, 3-fluoro-3-Fluoro-D-(2-2H)alanine(+-)-3-FluoroalanineRacemic fluoromethylglycine?-Fluoro-DL-alanineH--Fluoro-DL-Ala-OHDL-Alanine, 3-fluoro-SCHEMBL200985
Database identifiers
- CAS
16652-37-2- PubChem CID
- 37164
- Nikkaji
- J89.505I
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 75.3
Physicochemical properties
- Melting point
- 160 °C · 160 °C (decomp)
- Boiling point
- 266.9 · 266.9±25.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.86 · 1.86±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- 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_code
- Xi
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers17 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
GL Biochem (Shanghai) Ltd.+86-021-61263370 +86-18901917034
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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