4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2-oxo-6-trans-2-butenoic acid methyl ester

Base Information

• Chemical Name: 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2-oxo-6-trans-2-butenoic acid methyl ester
• CAS No.: 131514-88-0
• Molecular Formula: C16H19 N3 O3
• Molecular Weight: 301.3404
• Nikkaji Number: J374.271G
• ChEMBL ID: CHEMBL446431
• Mol file: 131514-88-0.mol

Synonyms:131514-88-0;4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2-oxo-6-trans-2-butenoic acid methyl ester;2-Butenoic acid, 4-(1,2,4,5-tetrahydro-5-methyl-2-oxoimidazo(4,5,1-jk)(1,4)benzodiazepin-6(7H)-yl)-, methyl ester, (E)-(1)-;CHEMBL446431;methyl (E)-4-[methyl(oxo)[?]yl]but-2-enoate;(E)-4-[(1,2,4,5,6,7-Hexahydro-5-methyl-2-oxoimidazo[4,5,1-jk][1,4]benzodiazepin)-6-yl]-2-butenoic acid methyl ester;Methyl (2E)-4-(5-Methyl-2-oxo-1,2,4,5-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-6(7H)-yl)but-2-enoate, (+/-)-

Chemical Property of 4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2-oxo-6-trans-2-butenoic acid methyl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.3g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 301.14264148
• Heavy Atom Count: 22
• Complexity: 479

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN2C3=C(CN1CC=CC(=O)OC)C=CC=C3NC2=O
• Isomeric SMILES: CC1CN2C3=C(CN1C/C=C/C(=O)OC)C=CC=C3NC2=O