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85213-22-5

Basic Information
CAS No.: 85213-22-5
Name: Ethanone, 1-(3,4-dihydro-2H-pyrrol-5-yl)- (9CI)
Article Data: 18
Molecular Structure:
Molecular Structure of 85213-22-5 (Ethanone, 1-(3,4-dihydro-2H-pyrrol-5-yl)- (9CI))
Formula: C6H9NO
Molecular Weight: 111.144
Synonyms: 2-Acetyl-1-pyrroline;2-Acetyl-4,5-dihydro-3H-pyrrole;
Density: 1.09 g/cm3
Boiling Point: 182.9 °C at 760 mmHg
Flash Point: 66.2 °C
PSA: 29.43000
LogP: 0.24580
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  • 1-(3,4-dihydro-2h-pyrrol-5-yl)ethanone

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    85213-22-5

    1-(3,4-dihydro-2h-pyrrol-5-yl)ethanone

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    1-(3,4-dihydro-2h-pyrrol-5-yl)ethanone Storage:Store in dry and cool condition Package:25kg or according to cutomer's demand Application:Chemical research/Pharmaceutical intermediates Transportation:By Sea,by Air,By courier like DHL or Fedx. Port:Sha

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  • 2-Acetyl-1-pyrroline

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    85213-22-5

    2-Acetyl-1-pyrroline

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    Topbatt Chemical Co., Ltd., Established in 2019, located in Shenzhen, Guangdong Province, is a Manufacturer and Trading company which specialized in fine chemicals like Pharmaceutical Reference Standards and Stable Isotopes. Our Stable Isotopes produ

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  • 85213-22-5

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    85213-22-5

    85213-22-5

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  • 1-(3,4-dihydro-2H-pyrrol-5-yl)Ethanone

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    85213-22-5

    1-(3,4-dihydro-2H-pyrrol-5-yl)Ethanone

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    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

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  • 2-Acetyl-1-pyrroline

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    85213-22-5

    2-Acetyl-1-pyrroline

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    1. Our staff are all biomedical related majors with rich experience in the pharmaceutical industry, and can provide you with more professional services.2. Our supplier has a good quality management system, and the quality of products is reliable and

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  • 2-Acetyl-1-pyrroline

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    85213-22-5

    2-Acetyl-1-pyrroline

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    High purity Application:Pharmaceutical intermediates, Material synthesis and analyzing the expectant ingredients

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Specification

The Ethanone,1-(3,4-dihydro-2H-pyrrol-5-yl)-, with the CAS registry number 85213-22-5, is also known as 2-Acetyl-1-pyrroline. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C6H9NO and molecular weight is 111.14176. What's more, both its IUPAC name and systematic name are the same which is called 1-(3,4-Dihydro-2H-pyrrol-5-yl)ethanone. It is isolated from rice and identified as the compound responsible for the flavor and aroma of scented rice after cooking. This chemical is an aroma compound and flavor that gives white bread, jasmine rice and basmati rice, the spice pandan (Pandanus amaryllifolius), and bread flowers (Vallaris glabra) their typical smell.

Physical properties about Ethanone,1-(3,4-dihydro-2H-pyrrol-5-yl)- are: (1) ACD/LogP: -1.27; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.67; (4) ACD/LogD (pH 7.4): -1.28; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1.93; (8) ACD/KOC (pH 7.4): 4.76; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 29.43 Å2; (13) Index of Refraction: 1.531; (14) Molar Refractivity: 31.36 cm3; (15) Molar Volume: 101.3 cm3; (16) Surface Tension: 36.4 dyne/cm; (17) Density: 1.09 g/cm3; (18) Flash Point: 66.2 °C; (19) Enthalpy of Vaporization: 41.91 kJ/mol; (20) Boiling Point: 182.9 °C at 760 mmHg; (21) Vapour Pressure: 0.793 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(/C1=N/CCC1)C
(2) InChI: InChI=1/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3
(3) InChIKey: DQBQWWSFRPLIAX-UHFFFAOYAG