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Basic Information
CAS No.: 15373-31-6
Name: 2-(2,2,3-Trimethyl-1-cyclopent-3-enyl)acetonitrile
Article Data: 27
Molecular Structure:
Molecular Structure of 15373-31-6 (2-(2,2,3-Trimethyl-1-cyclopent-3-enyl)acetonitrile)
Formula: C10H15N
Molecular Weight: 149.236
Synonyms: 2,2,3-Trimethylcyclopent-3-eneacetonitrile;2-(2,2,3-Trimethylcyclopentyl-3-ene)acetonitrile;NSC 122686;
EINECS: 239-405-4
Density: 0.881 g/cm3
Boiling Point: 230.1 °C at 760 mmHg
Flash Point: 99 °C
Solubility: 336mg/L at 20℃
PSA: 23.79000
LogP: 2.89248
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Specification

The 2-(2,2,3-Trimethyl-1-cyclopent-3-enyl)acetonitrile is an organic compound with the formulaC10H15N . The IUPAC name of this chemical is 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile. With the CAS registry number 15373-31-6, it is also named as 3-cyclopentene-1-acetonitrile, 2,2,3-trimethyl-. The product's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about 2-(2,2,3-Trimethyl-1-cyclopent-3-enyl)acetonitrile are: (1)ACD/LogP: 2.85; (2)ACD/LogD (pH 5.5): 2.85; (3)ACD/LogD (pH 7.4): 2.85; (4)ACD/BCF (pH 5.5): 85.89; (5)ACD/BCF (pH 7.4): 85.89; (6)ACD/KOC (pH 5.5): 843.19; (7)ACD/KOC (pH 7.4): 843.19; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79 Å2; (11)Index of Refraction: 1.454; (12)Molar Refractivity: 45.92 cm3; (13)Molar Volume: 169.3 cm3; (14)Polarizability: 18.2×10-24cm3; (15)Surface Tension: 27.6 dyne/cm; (16)Density: 0.881 g/cm3; (17)Flash Point: 99 °C; (18)Enthalpy of Vaporization: 46.68 kJ/mol; (19)Boiling Point: 230.1 °C at 760 mmHg; (20)Vapour Pressure: 0.067 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC1C(C(=C/C1)\C)(C)C
(2)InChI: InChI=1/C10H15N/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9H,5-6H2,1-3H3
(3)InChIKey: YYJOTFQPYNOYAB-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H15N/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9H,5-6H2,1-3H3
(5)Std. InChIKey: YYJOTFQPYNOYAB-UHFFFAOYSA-N