9-Amino-1,2,3,4-tetrahydro-benzo[e][1,4]diazepin-5-one

Base Information

• Chemical Name: 9-Amino-1,2,3,4-tetrahydro-benzo[e][1,4]diazepin-5-one
• CAS No.: 328546-66-3
• Molecular Formula: C9H11 N3 O
• Molecular Weight: 177.206
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20378056
• Wikidata: Q82167508
• Mol file: 328546-66-3.mol

Synonyms:328546-66-3;9-amino-1,2,3,4-tetrahydro-benzo[e][1,4]diazepin-5-one;9-amino-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one;9-Amino-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one;9-Amino-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one;9-amino-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one;MFCD03265458;Aminobenzodiazapine;SCHEMBL12750356;DTXSID20378056;XVHVPDMTBPMQAQ-UHFFFAOYSA-N;5H-1,4-Benzodiazepin-5-one, 9-amino-1,2,3,4-tetrahydro-;BBL101677;STL555473;AKOS005254261;AC-11854;AS-77703;D93068;EN300-8107399;A902895;9-Amino-1,2,3,4-tetrahydrobenzo[e][1,4]diazepin-5-one

Chemical Property of 9-Amino-1,2,3,4-tetrahydro-benzo[e][1,4]diazepin-5-one

Chemical Property:

• Vapor Pressure: 1.03E-10mmHg at 25°C
• Boiling Point: 515°Cat760mmHg
• Flash Point: 265.3°C
• PSA: 67.15000
• Density: 1.223g/cm³
• LogP: 1.47210
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.090211983
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

9-amino-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=O)C2=C(N1)C(=CC=C2)N