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479253-00-4

Basic Information
CAS No.: 479253-00-4
Name: N-trans-BOC-(3S)-Fluoropyrrolidine
Article Data: 8
Molecular Structure:
Molecular Structure of 479253-00-4 (N-trans-BOC-(3S)-Fluoropyrrolidine)
Formula: C9H16FNO2
Molecular Weight: 189.23
Synonyms: (3S)-3-Fluoropyrrolidine-1-carboxylicacid tert-butyl ester;(3S)-Fluoropyrrolidine-1-carboxylic acid tert-butylester;tert-Butyl (3S)-3-fluoropyrrolidine-1-carboxylate;
Density: 1.08g/cm3
Boiling Point: 230.4 °C at 760 mmHg
Flash Point: 93.2 °C
Hazard Symbols: T,N
Risk Codes: 25-36-50
Safety: 26-45-61
PSA: 29.54000
LogP: 1.90320
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    (S)-1-Boc-3-fluoropyrrolidine

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Comprehensive range product, High quality, Quick shippment, COA with spectras Package:1g Application:pharmaceutical industry, food industry, research

    SHANGHAI ZZBIO CO. LTD. is a high-tech enterprise involved in oligosaccharides & polysaccharides, PEG & PEGylation and phytochemicals for customers in pharmaceutical industry, food

  • SHANGHAI ZZBIO CO., LTD.

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-21-68404353-215

    Address:Rm 710, 30 BLDG, 2419 Hu Nan RD., Pudong New Area, Shanghai, China

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  • (S)-1-Boc-3-Fluoropyrrolidine

  • Casno:

    479253-00-4

    (S)-1-Boc-3-Fluoropyrrolidine

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    We keep a long-term friendly cooperation with many famous universities and research institutions in China, which provide us strong support on the research and development for new products. Application:We keep a long-term friendly cooperation with man

      Introduction: Shanghai JieJie Chemical Co., Ltd is a pharmaceutical and chemical enterprise for the research and production, it built in 2009. Our core busin

  • JIEJIE GROUP CO.,LTD.

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86 021-51698675

    Address:1701, Jielong Plaza, No.618 Pingliang Rd, ShangHai,China

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  • (3S)-3-fluoro-1-Pyrrolidinecarboxylic acid 1,1-dimethylethyl ester

  • Casno:

    479253-00-4

    (3S)-3-fluoro-1-Pyrrolidinecarboxylic acid 1,1-dimethylethyl ester

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

  • Debye Scientific

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+85221376140

    Address:Rm. 19C, Lockhart Ctr., 301-307 Lockhart Rd., Wan Chai

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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