Basic information
- Name:
Benzenebutanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-,(bS)-
- Superlist Name:
- Boc-(S)-3-Amino-4-(2-fluorophenyl)butyric acid
- CAS No.:
218608-99-2
- Molecular Structure:
![Molecular Structure of 218608-99-2 (Benzenebutanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-,(bS)-)](http://www.lookchem.com/300w/2010/0629/218608-99-2.jpg)
- Formula:
- C15H20FNO4
- Molecular Weight:
- 297.32
- Synonyms:
- (3S)-3-amino-5-tert-butoxy-4-(2-fluorophenyl)-5-oxo-pentanoic acid;
- Density:
- 1.214 g/cm3
- Boiling Point:
- 429.94 °C at 760 mmHg
- Flash Point:
- 213.821 °C
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Chemistry
Molecular Structure of Boc-(S)-3-Amino-4-(2-fluorophenyl)butyric acid (CAS NO.218608-99-2):
Systematic Name: (3S)-3-[(tert-Butoxycarbonyl)amino]-4-(2-fluorophenyl)butanoic acid
Molecular Formula: C15H20FNO4
Molecular Weight: 297.32
Index of Refraction: 1.514
Molar Refractivity: 75.08 cm3
Molar Volume: 249.3 cm3
Surface Tension: 42.4 dyne/cm
Density: 1.192 g/cm3
Flash Point: 223.3 °C
Enthalpy of Vaporization: 74.15 kJ/mol
Boiling Point: 445.5 °C at 760 mmHg
Vapour Pressure: 1.01E-08 mmHg at 25 °C
SMILES: Fc1ccccc1C[C@H](NC(=O)OC(C)(C)C)CC(=O)O
InChI: InChI=1/C15H20FNO4/c1-15(2,3)21-14(20)17-11(9-13(18)19)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKey: PUMMDCKRQRQFAD-NSHDSACABF
Product Categories: 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino
Safety Profile
Safety Information of Boc-(S)-3-Amino-4-(2-fluorophenyl)butyric acid (CAS NO.218608-99-2):
HazardClass: IRRITANT
Specification
Boc-(S)-3-Amino-4-(2-fluorophenyl)butyric acid (CAS NO.218608-99-2), its Synonyms are Benzenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-,(betaS)- ; (S)-N-(tert-Butoxycarbonyl)-3-amino-4-(2-fluorophenyl)butyric acid ; beta-T-Butoxycarbonyl-l-homo(2-fluorophenyl)alanine .