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17583-40-3

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Basic Information
CAS No.: 17583-40-3
Name: 2-(methylamino)benzonitrile
Article Data: 18
Molecular Structure:
Molecular Structure of 17583-40-3 (2-(methylamino)benzonitrile)
Formula: C8H8N2
Molecular Weight: 132.165
Synonyms: Anthranilonitrile,N-methyl- (7CI,8CI);2-(Methylamino)benzonitrile;N-Methylanthranilonitrile;NSC 158449;
Density: 1.06 g/cm3
Boiling Point: 277.6 °C at 760 mmHg
Flash Point: 121.7°C
PSA: 35.82000
LogP: 1.67298
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Specification

The Benzonitrile,2-(methylamino)-, with the CAS registry number 17583-40-3, is also known as N-Methylanthranilonitrile. This chemical's molecular formula is C8H8N2 and molecular weight is 132.16. What's more, its systematic name is 2-(methylamino)benzonitrile.

Physical properties of Benzonitrile,2-(methylamino)- are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 27.03 Å2; (7)Index of Refraction: 1.551; (8)Molar Refractivity: 39.59 cm3; (9)Molar Volume: 124 cm3; (10)Polarizability: 15.69×10-24cm3; (11)Surface Tension: 44 dyne/cm; (12)Density: 1.06 g/cm3; (13)Flash Point: 121.7 °C; (14)Enthalpy of Vaporization: 51.62 kJ/mol; (15)Boiling Point: 277.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00448 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccccc1NC
(2)InChI: InChI=1S/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,10H,1H3
(3)InChIKey: SHIBMGQAICRHTE-UHFFFAOYSA-N