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351369-12-5

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Basic Information
CAS No.: 351369-12-5
Name: Carbamic acid, (4-fluoro-3-pyrrolidinyl)-, 1,1-dimethylethyl ester (9CI)
Article Data: 1
Molecular Structure:
Molecular Structure of 351369-12-5 (Carbamic acid, (4-fluoro-3-pyrrolidinyl)-, 1,1-dimethylethyl ester (9CI))
Formula: C9H17FN2O2
Molecular Weight: 204.245
Synonyms: (4-Fluoropyrrolidin-3-yl)carbamic acid tert-butyl ester;Carbamic acid, N-(4-fluoro-3-pyrrolidinyl)-, 1,1-dimethylethyl ester;
Density: 1.1 g/cm3
Boiling Point: 295.3 °C at 760 mmHg
Flash Point: 132.4 °C
PSA: 50.36000
LogP: 1.54070
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Specification

The tert-Butyl (4-fluoro-3-pyrrolidinyl)carbamate, with the CAS registry number 351369-12-5, is also known as (4-Fluoropyrrolidin-3-yl)carbamic acid tert-butyl ester. It belongs to the product category of N-BOC. This chemical's molecular formula is C9H17FN2O2 and molecular weight is 204.24. Its systematic name is called tert-Butyl (4-fluoropyrrolidin-3-yl)carbamate.

Physical properties about this chemical are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 9.07; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 50.91 cm3; (13)Molar Volume: 184.5 cm3; (14)Surface Tension: 33.5 dyne/cm; (15)Density: 1.1 g/cm3; (16)Flash Point: 132.4 °C; (17)Enthalpy of Vaporization: 53.51 kJ/mol; (18)Boiling Point: 295.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00153 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NC1CNCC1F
(2)InChI: InChI=1/C9H17FN2O2/c1-9(2,3)14-8(13)12-7-5-11-4-6(7)10/h6-7,11H,4-5H2,1-3H3,(H,12,13)
(3)InChIKey: BZSDDSIFAGBZLT-UHFFFAOYAS