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70401-32-0

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Basic Information
CAS No.: 70401-32-0
Name: 2-METHYL-5H-DIBENZ[B,F]AZEPINE-5-CARBOXAMIDE
Article Data: 1
Molecular Structure:
Molecular Structure of 70401-32-0 (2-METHYL-5H-DIBENZ[B,F]AZEPINE-5-CARBOXAMIDE)
Formula: C16H14N2O
Molecular Weight: 250.3
Synonyms: 2-Methyl-5H-dibenzo[b,f]azepine-5-carboxamide;2-Methyl-5H-dibenz[b,f]azepine-5-carboxamide;2-Methyl-5H-dibenzo[b,f]azepine-5-carboxamide;
EINECS: 274-595-2
Density: 1.233 g/cm3
Melting Point: 85-86?C
Boiling Point: 435.6 °C at 760 mmHg
Flash Point: 217.2 °C
PSA: 46.33000
LogP: 4.46090
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Specification

The CAS registry number of 5H-Dibenz[b,f]azepine-5-carboxamide,2-methyl- is 70401-32-0. The IUPAC name is 2-methyl-5H-dibenzo[b,f]azepine-5-carboxamide. Its EINECS registry number is 274-595-2. In addition, the formula is C16H14N2O and the molecular weight is 250.3. What's more, it is a kind of off-white fine powder.

Physical properties about 5H-Dibenz[b,f]azepine-5-carboxamide,2-methyl- are: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 141.56; (6)ACD/BCF (pH 7.4): 141.56; (7)ACD/KOC (pH 5.5): 1205.75; (8)ACD/KOC (pH 7.4): 1205.75; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 74.51 cm3; (15)Molar Volume: 202.8 cm3; (16)Polarizability: 29.53 ×10-24cm3; (17)Surface Tension: 54.7 dyne/cm; (18)Density: 1.233 g/cm3; (19)Flash Point: 217.2 °C; (20)Enthalpy of Vaporization: 69.19 kJ/mol; (21)Boiling Point: 435.6 °C at 760 mmHg; (22)Vapour Pressure: 8.67E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)N3c1ccccc1\C=C/c2c3ccc(c2)C
(2)InChI: InChI=1/C16H14N2O/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)18(15)16(17)19/h2-10H,1H3,(H2,17,19)
(3)InChIKey: WLUGVRXHDCWYLA-UHFFFAOYAG