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195986-82-4

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Basic Information
CAS No.: 195986-82-4
Name: 7-METHYL-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE
Molecular Structure:
Molecular Structure of 195986-82-4 (7-METHYL-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE)
Formula: C10H14N2
Molecular Weight: 162.235
Synonyms: 11-Methyl-2,5-diazabicyclo[5.4.0]undeca-7,9,11-triene;
Density: 0.999 g/cm3
Boiling Point: 294.052 °C at 760 mmHg
Flash Point: 173.988 °C
PSA: 24.06000
LogP: 1.97690
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Specification

The 1H-1,4-Benzodiazepine,2,3,4,5-tetrahydro-9-methyl-, with the CAS registry number 195986-82-4, is also known as 11-Methyl-2,5-diazabicyclo[5.4.0]undeca-7,9,11-triene. This chemical's molecular formula is C10H14N2 and molecular weight is 162.23156. Its IUPAC name is called 9-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine.

Physical properties of 1H-1,4-Benzodiazepine,2,3,4,5-tetrahydro-9-methyl-: (1)ACD/LogP: 1.99; (2)ACD/LogD (pH 5.5): -2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)Index of Refraction: 1.527; (10)Molar Refractivity: 49.948 cm3; (11)Molar Volume: 162.342 cm3; (12)Surface Tension: 35.681 dyne/cm; (13)Density: 0.999 g/cm3; (14)Flash Point: 173.988 °C; (15)Enthalpy of Vaporization: 53.367 kJ/mol; (16)Boiling Point: 294.052 °C at 760 mmHg; (17)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC2=C1NCCNC2
(2)InChI: InChI=1S/C10H14N2/c1-8-3-2-4-9-7-11-5-6-12-10(8)9/h2-4,11-12H,5-7H2,1H3
(3)InChIKey: LCZRNBVXQPCCDG-UHFFFAOYSA-N