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26424-07-7

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Basic Information
CAS No.: 26424-07-7
Name: 3-(3-METHOXY-PHENYLAMINO)-PROPIONITRILE
Article Data: 4
Molecular Structure:
Molecular Structure of 26424-07-7 (3-(3-METHOXY-PHENYLAMINO)-PROPIONITRILE)
Formula: C10H12N2O
Molecular Weight: 176.218
Synonyms: Propionitrile, 3-m-anisidino- (8CI);
Density: 1.106 g/cm3
Boiling Point: 374.1 °C at 760 mmHg
Flash Point: 180.1 °C
PSA: 45.05000
LogP: 2.09378
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Specification

The CAS registry number of Propanenitrile, 3-[(3-methoxyphenyl)amino]- is 26424-07-7. This chemical is also named as 3-[(3-Methoxyphenyl)amino]propanenitrile. In addition, its molecular formula is C10H12N2O and molecular weight is 176.2151. Its systematic name and IUPAC name are the same which is called 3-(3-methoxyanilino)propanenitrile.

Physical properties about Propanenitrile, 3-[(3-methoxyphenyl)amino]- are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.562; (7)Molar Refractivity: 51.72 cm3; (8)Molar Volume: 159.2 cm3; (9)Surface Tension: 44.1 dyne/cm; (10)Density: 1.106 g/cm3; (11)Flash Point: 180.1 °C; (12)Enthalpy of Vaporization: 62.15 kJ/mol; (13)Boiling Point: 374.1 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCNc1cccc(OC)c1
(2)InChI: InChI=1/C10H12N2O/c1-13-10-5-2-4-9(8-10)12-7-3-6-11/h2,4-5,8,12H,3,7H2,1H3
(3)InChIKey: SJJLNXJJMNKZKF-UHFFFAOYAL