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Basic Information
CAS No.: 36072-16-9
Name: 3-[(2,5-DIMETHYLPHENYL)AMINO]PROPANENITRILE
Molecular Structure:
Molecular Structure of 36072-16-9 (3-[(2,5-DIMETHYLPHENYL)AMINO]PROPANENITRILE)
Formula: C11H14N2
Molecular Weight: 174.246
Synonyms: HMS2512M19;
Density: 1.038 g/cm3
Boiling Point: 352.9 °C at 760 mmHg
Flash Point: 167.2 °C
PSA: 35.82000
LogP: 2.70198
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Specification

The Propanenitrile,3-[(2,5-dimethylphenyl)amino]- is an organic compound with the formula C11H14N2. With the CAS registry number 36072-16-9, the IUPAC name of this chemical is 3-(2,5-dimethylanilino)propanenitrile.

Physical properties about Propanenitrile,3-[(2,5-dimethylphenyl)amino]- are: (1)ACD/LogP: 1.85; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 27.03 Å2; (6)Index of Refraction: 1.565; (7)Molar Refractivity: 54.69 cm3; (8)Molar Volume: 167.8 cm3; (9)Polarizability: 21.68×10-24cm3; (10)Surface Tension: 42.8 dyne/cm; (11)Density: 1.038 g/cm3; (12)Flash Point: 167.2 °C; (13)Enthalpy of Vaporization: 59.78 kJ/mol; (14)Boiling Point: 352.9 °C at 760 mmHg; (15)Vapour Pressure: 3.72E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCNc1cc(ccc1C)C
(2)InChI: InChI=1/C11H14N2/c1-9-4-5-10(2)11(8-9)13-7-3-6-12/h4-5,8,13H,3,7H2,1-2H3
(3)InChIKey: PNMWBFBRYBSXJY-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H14N2/c1-9-4-5-10(2)11(8-9)13-7-3-6-12/h4-5,8,13H,3,7H2,1-2H3
(5)Std. InChIKey: PNMWBFBRYBSXJY-UHFFFAOYSA-N