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57582-31-7

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Basic Information
CAS No.: 57582-31-7
Name: 1,2-Dimethylbenz[e]indole
Article Data: 6
Molecular Structure:
Molecular Structure of 57582-31-7 (1,2-Dimethylbenz[e]indole)
Formula: C14H13N
Molecular Weight: 181.237
Synonyms: 1,2-Dimethyl-benz[e]indole
Density: 1.159 g/cm3
Boiling Point: 391.109 °C at 760 mmHg
Flash Point: 175.156 °C
PSA: 4.93000
LogP: 3.63990
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Specification

This chemical is called 1,2-Dimethylbenz[e]indole, and it can also be named as 3H-benz[e]indole, 1,2-dimethyl-. With the molecular formula of C14H13N, its molecular weight is 195.26. The CAS registry number of this chemical is 57582-31-7.

Other characteristics of the 1,2-Dimethylbenz[e]indole can be summarised as followings: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 15.79 Å2; (7)Index of Refraction: 1.712; (8)Molar Refractivity: 66.021 cm3; (9)Molar Volume: 168.538 cm3; (10)Polarizability: 26.173×10-24cm3; (11)Surface Tension: 50.748 dyne/cm; (12)Density: 1.159 g/cm3; (13)Flash Point: 175.156 °C; (14)Enthalpy of Vaporization: 61.564 kJ/mol; (15)Boiling Point: 391.109 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Cc3c2c(ccc1ccccc12)nc3C
2.InChI: InChI=1/C14H13N/c1-9-10(2)15-13-8-7-11-5-3-4-6-12(11)14(9)13/h3-8,15H,1-2H3
3.InChIKey: JLIDRDJNLAWIKT-UHFFFAOYAE