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853304-19-5

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Basic Information
CAS No.: 853304-19-5
Name: Pyrrolidine, 2-ethynyl-
Molecular Structure:
Molecular Structure of 853304-19-5 (Pyrrolidine, 2-ethynyl-)
Formula: C6H9N
Molecular Weight: 95.1442
Synonyms: 2-Ethynylpyrrolidine;
Density: 0.93 g/cm3
Boiling Point: 116.2 °C at 760 mmHg
Flash Point: 15.2 °C
PSA: 12.03000
LogP: 0.70040
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Specification

The Pyrrolidine, 2-ethynyl-, its CAS registry number is 853304-19-5. This chemical's molecular formula is C6H9N and molecular weight is 95.14. What's more, its systematic name is 2-Ethynylpyrrolidine.

Physical properties of Pyrrolidine, 2-ethynyl- are: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 12.03 Å2; (11)Index of Refraction: 1.484; (12)Molar Refractivity: 29.21 cm3; (13)Molar Volume: 102 cm3; (14)Polarizability: 11.58×10-24 cm3; (15)Surface Tension: 33.8 dyne/cm; (16)Density: 0.93 g/cm3; (17)Flash Point: 15.2 °C; (18)Enthalpy of Vaporization: 35.46 kJ/mol; (19)Boiling Point: 116.2 °C at 760 mmHg; (20)Vapour Pressure: 18.4 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES:C#CC1CCCN1
(2)InChI:InChI=1/C6H9N/c1-2-6-4-3-5-7-6/h1,6-7H,3-5H2
(3)InChIKey:SODJJQTYBSNLPQ-UHFFFAOYAF