4-Imidazol-1-ylmethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 4-Imidazol-1-ylmethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester
• CAS No.: 912763-08-7
• Molecular Formula: C14H24N4O2
• Molecular Weight: 280.36596
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60587584
• Wikidata: Q82480051
• Mol file: 912763-08-7.mol

Synonyms:912763-08-7;4-IMIDAZOL-1-YLMETHYL-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;tert-butyl 4-(imidazol-1-ylmethyl)-1,4-diazepane-1-carboxylate;tert-Butyl 4-[(1H-imidazol-1-yl)methyl]-1,4-diazepane-1-carboxylate;tert-Butyl 4-((1H-imidazol-1-yl)methyl)-1,4-diazepane-1-carboxylate;MFCD08692532;DTXSID60587584;tert-butyl 4-(1H-imidazol-1-ylmethyl)-1,4-diazepane-1-carboxylate;AKOS005255832;MCULE-8704906552

Chemical Property of 4-Imidazol-1-ylmethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester

Chemical Property:

• Vapor Pressure: 2.52E-07mmHg at 25°C
• Boiling Point: 421.9°C at 760 mmHg
• Flash Point: 208.9°C
• PSA: 50.60000
• Density: 1.14g/cm³
• LogP: 1.65920
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 280.18992602
• Heavy Atom Count: 20
• Complexity: 330

Purity/Quality:

NLT 98% ^*data from raw suppliers

TERT-BUTYL-4-(1H-IMIDAZOL-1-YLMETHYL)-1,4-DIAZEPANE-1-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCN(CC1)CN2C=CN=C2