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22629-49-8

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Basic Information
CAS No.: 22629-49-8
Name: 2-TRIDECENONITRILE
Article Data: 8
Molecular Structure:
Molecular Structure of 22629-49-8 (2-TRIDECENONITRILE)
Formula: C13H23N
Molecular Weight: 193.332
Synonyms: Tridec-2-enenitrile;
EINECS: 245-142-6
Density: 0.84 g/cm3
Boiling Point: 288.6 °C at 760 mmHg
Flash Point: 128.7 °C
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
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Specification

The 2-Tridecenenitrile, with the CAS registry number of 22629-49-8, is also known as Tridec-2-enenitrile. Its EINECS registry number is 245-142-6. This chemical's molecular formula is C13H23N and molecular weight is 193.33. What's more, its IUPAC name is Tridec-2-enenitrile.

Physical properties about the 2-Tridecenenitrile are: (1)ACD/LogP: 5.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.49; (4)ACD/LogD (pH 7.4): 5.49; (5)ACD/BCF (pH 5.5): 8821.28; (6)ACD/BCF (pH 7.4): 8821.28; (7)ACD/KOC (pH 5.5): 23216.75; (8)ACD/KOC (pH 7.4): 23216.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 62.24 cm3; (15)Molar Volume: 230.1 cm3; (16)Surface Tension: 31.4 dyne/cm; (17)Density: 0.84 g/cm3; (18)Flash Point: 128.7 °C; (19)Enthalpy of Vaporization: 52.78 kJ/mol; (20)Boiling Point: 288.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00232 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC=CCCCCCCCCCC
(2) InChI: InChI=1/C13H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12H,2-10H2,1H3
(3) InChIKey: WKSPQBFDRTUGEF-UHFFFAOYAW