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| CAS No.: | 72115-06-1 |
|---|---|
| Name: | 4-Amino-2-methylbenzonitrile |
| Molecular Structure: | |
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| Formula: | C8H8N2 |
| Molecular Weight: | 132.165 |
| Synonyms: | 4-amino-2-methylbenzonitrile |
| Density: | 1.105 g/cm3 |
| Melting Point: | 90oC |
| Boiling Point: | 298.801 °C at 760 mmHg |
| Flash Point: | 134.511 °C |
| Appearance: | White solid |
| PSA: | 49.81000 |
| LogP: | 2.03008 |
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Specification
The CAS register number of 4-Amino-2-methylbenzonitrile is 72115-06-1. The molecular formula about this chemical is C8H8N2 and the molecular weight is 132.16492.
Physical properties about 4-Amino-2-methylbenzonitrile are: (1)ACD/LogP: 1.19; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 49.81 Å2; (6)Index of Refraction: 1.576; (7)Molar Refractivity: 39.561 cm3; (8)Molar Volume: 119.584 cm3; (9)Polarizability: 15.683x10-24cm3; (10)Surface Tension: 50.794 dyne/cm; (11)Density: 1.105 g/cm3; (12)Flash Point: 134.511 °C; (13)Enthalpy of Vaporization: 53.875 kJ/mol; (14)Boiling Point: 298.801 °C at 760 mmHg; (15)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(cc(N)cc1)C
(2)InChI: InChI=1/C8H8N2/c1-6-4-8(10)3-2-7(6)5-9/h2-4H,10H2,1H3
(3)InChIKey: RGHJWZADAWEIFE-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H8N2/c1-6-4-8(10)3-2-7(6)5-9/h2-4H,10H2,1H3
(5)Std. InChIKey: RGHJWZADAWEIFE-UHFFFAOYSA-N