(3S,4S)-3-Amino-4-fluoro-1-pyrrolidinecarboxylic acid tert-butyl ester supplier

Name
(3S,4S)-tert-Butyl 3-amino-4-fluoropyrrolidine-1-carboxylate
EINECS
CAS No. 1009075-43-7
Article Data2
CAS DataBase
Density 1.138 g/cm³
Solubility
Melting Point
Formula C₉H₁₇FN₂O₂
Boiling Point 266.067 °C at 760 mmHg
Molecular Weight 204.245
Flash Point 114.714 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-butyl (3S,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;
PSA 55.56000
LogP 1.54070

(3S,4S)-3-Amino-4-fluoro-1-pyrrolidinecarboxylic acid tert-butyl ester Specification

The cas register number of (3S,4S)-3-Amino-4-fluoro-1-pyrrolidinecarboxylic acid tert-butyl ester is 1009075-43-7. It also can be called as 1-Pyrrolidinecarboxylicacid, 3-amino-4-fluoro-, 1,1-dimethylethyl ester, (3S,4S)- and the Systematic name about this chemical is tert-butyl 3-amino-4-fluoro-pyrrolidine-1-carboxylate.

Physical properties about (3S,4S)-3-Amino-4-fluoro-1-pyrrolidinecarboxylic acid tert-butyl ester are: (1)ACD/LogP: 0.87; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 8.177; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 55.56Å²; (10)Index of Refraction: 1.482; (11)Molar Refractivity: 51.114 cm³; (12)Molar Volume: 179.443 cm³; (13)Polarizability: 20.263x10^-24cm³; (14)Surface Tension: 37.422 dyne/cm; (15)Enthalpy of Vaporization: 50.403 kJ/mol; (16)Vapour Pressure: 0.009 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC(C(C1)F)N
(2)InChI: InChI=1/C9H17FN2O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,11H2,1-3H3
(3)InChIKey: DXQXHFOCKKIWJL-UHFFFAOYAU
(4)Std. InChl: InChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,11H2,1-3H3
(5)Std. InChIKey: DXQXHFOCKKIWJL-UHFFFAOYSA-N

Product Name

(3S,4S)-tert-Butyl 3-amino-4-fluoropyrrolidine-1-carboxylate

(3S,4S)-3-Amino-4-fluoro-1-pyrrolidinecarboxylic acid tert-butyl ester Specification

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