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36034-62-5

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Basic Information
CAS No.: 36034-62-5
Name: 3-(3,5-DIMETHYL-PHENYLAMINO)-PROPIONITRILE
Article Data: 3
Molecular Structure:
Molecular Structure of 36034-62-5 (3-(3,5-DIMETHYL-PHENYLAMINO)-PROPIONITRILE)
Formula: C11H14N2
Molecular Weight: 174.2423
Synonyms: NSC158538;3-(3,5-Dimethyl-phenylamino)-propionitrile;
Density: 1.038 g/cm3
Boiling Point: 355 °C at 760 mmHg
Flash Point: 168.5 °C
PSA: 35.82000
LogP: 2.70198
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Specification

The CAS registry number of Propanenitrile, 3-[(3,5-dimethylphenyl)amino]- is 36034-62-5. This chemical is also named as 3-(3,5-Dimethyl-phenylamino)-propionitrile. In addition, its molecular formula is C11H14N2 and molecular weight is 174.2423. Its systematic name and IUPAC name are the same which is called 3-(3,5-dimethylanilino)propanenitrile.

Physical properties about Propanenitrile, 3-[(3,5-dimethylphenyl)amino]- are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.565; (7)Molar Refractivity: 54.69 cm3; (8)Molar Volume: 167.8 cm3; (9)Surface Tension: 42.8 dyne/cm; (10)Density: 1.038 g/cm3; (11)Flash Point: 168.5 °C; (12)Enthalpy of Vaporization: 60.01 kJ/mol; (13)Boiling Point: 355 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCNc1cc(cc(c1)C)C
(2)InChI: InChI=1/C11H14N2/c1-9-6-10(2)8-11(7-9)13-5-3-4-12/h6-8,13H,3,5H2,1-2H3
(3)InChIKey: OQRDRTJKHFRBQU-UHFFFAOYAU