4,7-Dihydro-3H-imidazo[4,5-d][1,3]diazepin-8-one

Base Information

• Chemical Name: 4,7-Dihydro-3H-imidazo[4,5-d][1,3]diazepin-8-one
• CAS No.: 72079-77-7
• Molecular Formula: C6H6N4O
• Molecular Weight: 150.14
• DSSTox Substance ID: DTXSID80458681
• Nikkaji Number: J1.690.740E
• Mol file: 72079-77-7.mol

Synonyms:72079-77-7;4,7-Dihydro-imidazole[4,5-d]1,3-diazepine-8(1H)-one;4,7-Dihydro-3H-imidazo[4,5-d][1,3]diazepin-8-one;4,7-dihydro-1H-imidazo[4,5-d][1,3]diazepin-8-one;4,7-Dihydroimidazole[4,5-d][1,3]diazepine-8(1H)-one;4,7-DIHYDROIMIDAZO[4,5-D][1,3]DIAZEPIN-8(1H)-ONE;1H,4H,7H,8H-IMIDAZO[4,5-D][1,3]DIAZEPIN-8-ONE;SCHEMBL5678380;SCHEMBL17425088;DTXSID80458681;AKOS006230327;AKOS015961073;AB21035;AC-26361;CS-0002390;FT-0760851;P10309;(Z)-4,7-dihydroimidazo[4,5-d][1,3]diazepin-8(1H)-one;3,6,7,8-Tetrahydroimidazo[4,5-d][1,3]diazepine-8-one;Imidazo[4,5-d][1,3]diazepin-8(1H)-one, 4,7-dihydro-

Chemical Property of 4,7-Dihydro-3H-imidazo[4,5-d][1,3]diazepin-8-one

Chemical Property:

• Vapor Pressure: 1.34E-09mmHg at 25°C
• Refractive Index: 1.814
• Boiling Point: 486 °C at 760 mmHg
• Flash Point: 247.7 °C
• PSA: 70.14000
• Density: 1.7 g/cm³
• LogP: -0.38020
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.05416083
• Heavy Atom Count: 11
• Complexity: 203

Purity/Quality:

99%, ^*data from raw suppliers

4,7-Dihydro-3H-imidazo[4,5-d][1,3]diazepin-8-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)C2=C(NC=N1)N=CN2