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58441-92-2

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Basic Information
CAS No.: 58441-92-2
Name: 3-(2-chloro-11H-dibenzo[b,e]azepin-11-ylidene)-N,N-dimethylpropan-1-amine
Molecular Structure:
Molecular Structure of 58441-92-2 (3-(2-chloro-11H-dibenzo[b,e]azepin-11-ylidene)-N,N-dimethylpropan-1-amine)
Formula: C19H19ClN2
Molecular Weight: 310.826
Synonyms: 11H-Dibenz[b,e]azepine,1-propanamine deriv.;
Density: 1.12 g/cm3
Boiling Point: 451.3 °C at 760 mmHg
Flash Point: 226.8 °C
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Specification

This chemical is called 3-(2-Chloro-11H-dibenzo[b,e]azepin-11-ylidene)-N,N-dimethylpropan-1-amine. With the molecular formula of C19H19ClN2, its molecular weight is 310.82. The CAS registry number of this chemical is 58441-92-2.

Other characteristics of the 3-(2-Chloro-11H-dibenzo[b,e]azepin-11-ylidene)-N,N-dimethylpropan-1-amine can be summarised as followings: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.33; (7)ACD/KOC (pH 5.5): 2.11; (8)ACD/KOC (pH 7.4): 36.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 15.6 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 93.7 cm3; (15)Molar Volume: 275.9 cm3; (16)Polarizability: 37.14×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 226.8 °C; (20)Enthalpy of Vaporization: 71.04 kJ/mol; (21)Boiling Point: 451.3 °C at 760 mmHg; (22)Vapour Pressure: 2.45E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2ccc1\N=C/c3c(C(c1c2)=CCCN(C)C)cccc3
2.InChI: InChI=1/C19H19ClN2/c1-22(2)11-5-8-17-16-7-4-3-6-14(16)13-21-19-10-9-15(20)12-18(17)19/h3-4,6-10,12-13H,5,11H2,1-2H3
3.InChIKey: KGRYJYZBJQLPFW-UHFFFAOYAD