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85351-07-1

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Basic Information
CAS No.: 85351-07-1
Name: 3-METHYLDODECANONITRILE
Article Data: 2
Molecular Structure:
Molecular Structure of 85351-07-1 (3-METHYLDODECANONITRILE)
Formula: C13H25N
Molecular Weight: 195.348
Synonyms: 3-methyl-dodecanenitril;3-methyl-Dodecanenitrile;3-METHYLDODECANONITRILE;FRESCILE;Dodecanenitrile, 3-methyl-;3-Methyldodecanonitril;3-METHYL-DODECANENITRILE,99+%;Einecs 286-729-7
EINECS: 286-729-7
Density: 0.824 g/cm3
Boiling Point: 286.2 °C at 760 mmHg
Flash Point: 155.9 °C
PSA: 23.79000
LogP: 4.67688
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Specification

This chemical is called Dodecanenitrile, 3-methyl-, and its systematic name is 3-methyldodecanenitrile. With the molecular formula of C13H25N, its molecular weight is 195.34. The CAS registry number of this chemical is 85351-07-1.

Other characteristics of the Dodecanenitrile, 3-methyl- can be summarised as followings: (1)ACD/LogP: 5.12 ; (2)#H bond acceptors: 1; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 9; (5)Polar Surface Area: 23.79 Å2; (6)Index of Refraction: 1.438; (7)Molar Refractivity: 62.148 cm3; (8)Molar Volume: 236.883 cm3; (9)Polarizability: 24.638×10-24cm3; (10)Surface Tension: 30.14 dyne/cm; (11)Density: 0.825 g/cm3; (12)Flash Point: 155.896 °C; (13)Enthalpy of Vaporization: 52.53 kJ/mol; (14)Boiling Point: 286.209 °C at 760 mmHg; (15)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#CCC(CCCCCCCCC)C
2.InChI: InChI=1/C13H25N/c1-3-4-5-6-7-8-9-10-13(2)11-12-14/h13H,3-11H2,1-2H3
3.InChIKey: ZKCZXPOYIUVRIV-UHFFFAOYAO