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318237-73-9

Basic Information
CAS No.: 318237-73-9
Name: 2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine
Article Data: 3
Molecular Structure:
Molecular Structure of 318237-73-9 (2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine)
Formula: C12H13N3
Molecular Weight: 199.25
Synonyms: 2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine;1,4,5,6-Tetrahydro-2-methyl-imidazo[4,5-d][1]benzazepine;2-methyl-1,4,5,6-tetrahydrobenzo[b]imidazo[4,5-d]azepine
Density: 1.188 g/cm3
Melting Point: 178-180 °C
Boiling Point: 529.2 °C at 760 mmHg
Flash Point: 273.8 °C
PSA: 40.71000
LogP: 2.49110
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  • 2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

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    2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

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  • Imidazo[4,5-d][1]benzazepine,1,4,5,6-tetrahydro-2-methyl-

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    318237-73-9

    Imidazo[4,5-d][1]benzazepine,1,4,5,6-tetrahydro-2-methyl-

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    318237-73-9

    2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    please contact us to confirm the required quantity and quote, we will provide you with COA,NMR,HPLC and other relevant information Storage:Store in a cool place. Keep container tightly closed in a dry and well-ventilated place Package:as your needs A

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  • 2-methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

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    318237-73-9

    2-methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

    Min.Order: 1 Kilogram

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    2-methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine: Good price with best quality Appearance:Light yellow to off-white powder Storage:dry and cool Package:25kgs/drum Application:CAS NO.: 318237-73-9 Intermediate for Conivaptan Hcl Transportatio

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Specification

The systematic name of this chemical is 2-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine. With the CAS registry number 318237-73-9, it is also named as imidazo[4,5-d][1]benzazepine, 1,4,5,6-tetrahydro-2-methyl-. In addition, the formula is C12H13N3 and molcular weight 199.25.

The other characteristics of 2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine can be summarized as: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 7.93; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 21.06 Å2; (12)Index of Refraction: 1.622; (13)Molar Refractivity: 59.1 cm3; (14)Molar Volume: 167.6 cm3; (15)Polarizability: 23.43×10-24 cm3; (16)Surface Tension: 52.3 dyne/cm; (17)Density: 1.188 g/cm3; (18)Flash Point: 273.8 °C; (19)Enthalpy of Vaporization: 80.41 kJ/mol; (20)Boiling Point: 529.2 °C at 760 mmHg; (21)Vapour Pressure: 2.77E-11 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:n3c2c1ccccc1NCCc2nc3C
2. InChI:InChI=1/C12H13N3/c1-8-14-11-6-7-13-10-5-3-2-4-9(10)12(11)15-8/h2-5,13H,6-7H2,1H3,(H,14,15) 
3. InChIKey:QUNIZYMESYDMBI-UHFFFAOYAF
4. Std. InChI:InChI=1S/C12H13N3/c1-8-14-11-6-7-13-10-5-3-2-4-9(10)12(11)15-8/h2-5,13H,6-7H2,1H3,(H,14,15) 
5. Std. InChIKey:QUNIZYMESYDMBI-UHFFFAOYSA-N