N-trans-BOC-(3S)-Fluoropyrrolidine supplier

Name
N-trans-BOC-(3S)-Fluoropyrrolidine
EINECS
CAS No. 479253-00-4
Article Data8
CAS DataBase
Density 1.08g/cm³
Solubility
Melting Point
Formula C₉H₁₆FNO₂
Boiling Point 230.4 °C at 760 mmHg
Molecular Weight 189.23
Flash Point 93.2 °C
Transport Information
Appearance
Safety 26-45-61
Risk Codes 25-36-50
Molecular Structure
Hazard Symbols T,N
Synonyms (3S)-3-Fluoropyrrolidine-1-carboxylicacid tert-butyl ester;(3S)-Fluoropyrrolidine-1-carboxylic acid tert-butylester;tert-Butyl (3S)-3-fluoropyrrolidine-1-carboxylate;
PSA 29.54000
LogP 1.90320

N-trans-BOC-(3S)-Fluoropyrrolidine Specification

The N-trans-BOC-(3S)-Fluoropyrrolidine with the cas number 479253-00-4 is also called 1-Pyrrolidinecarboxylicacid, 3-fluoro-, 1,1-dimethylethyl ester, (3S)-. The systematic name is tert-butyl (3S)-3-fluoropyrrolidine-1-carboxylate. Its molecular formula is C₉H₁₆FNO₂. The product's category is Pyrrole&Pyrrolidine&Pyrroline.

The properties of the chemical are: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.91; (6)ACD/BCF (pH 7.4): 4.91; (7)ACD/KOC (pH 5.5): 108.73; (8)ACD/KOC (pH 7.4): 108.73; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 47.51 cm³; (15)Molar Volume: 175 cm³; (16)Polarizability: 18.83×10^-24cm³; (17)Surface Tension: 31.9 dyne/cm; (18)Enthalpy of Vaporization: 46.7 kJ/mol; (19)Vapour Pressure: 0.0659 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC[C@H](F)C1
(2)InChI: InChI=1/C9H16FNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m0/s1
(3)InChIKey: SUECTKVSIDXQQE-ZETCQYMHBD

Product Name

N-trans-BOC-(3S)-Fluoropyrrolidine

N-trans-BOC-(3S)-Fluoropyrrolidine Specification

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