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19352-85-3

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Basic Information
CAS No.: 19352-85-3
Name: Pyrrolidine, 1-(1-buten-3-ynyl)- (8CI,9CI)
Molecular Structure:
Molecular Structure of 19352-85-3 (Pyrrolidine, 1-(1-buten-3-ynyl)- (8CI,9CI))
Formula: C8H11N
Molecular Weight: 121.17964
Synonyms: Pyrrolidine,1-(1-buten-3-ynyl)- (8CI,9CI);
Density: 0.95 g/cm3
Boiling Point: 172.7 °C at 760 mmHg
Flash Point: 73.7 °C
PSA: 3.24000
LogP: 1.16700
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Specification

The Pyrrolidine,1-(1-buten-3-yn-1-yl)-, with the CAS registry number 19352-85-3, is also known as 1-(But-3-en-1-yn-1-yl)pyrrolidine. It belongs to the product categories of Aminetertiary; Pyrrolidine. This chemical's molecular formula is C8H11N and molecular weight is 121.17964. What's more, its IUPAC name is 1-But-3-en-1-ynylpyrrolidine.

Physical properties about Pyrrolidine,1-(1-buten-3-yn-1-yl)-: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6.5; (7)ACD/KOC (pH 5.5): 2.16; (8)ACD/KOC (pH 7.4): 99.4; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 38.7 cm3; (15)Molar Volume: 127.2 cm3; (16)Surface Tension: 36.8 dyne/cm; (17)Density: 0.95 g/cm3; (18)Flash Point: 73.7 °C; (19)Enthalpy of Vaporization: 40.91 kJ/mol; (20)Boiling Point: 172.7 °C at 760 mmHg; (21)Vapour Pressure: 1.31 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C(#CN1CCCC1)\C=C
(2) InChI: InChI=1/C8H11N/c1-2-3-6-9-7-4-5-8-9/h2H,1,4-5,7-8H2
(3) InChIKey: LOHBTCFJVVZEEX-UHFFFAOYAN