1-Boc-4-bromoacetyl-1,4-diazepane

Base Information

• Chemical Name: 1-Boc-4-bromoacetyl-1,4-diazepane
• CAS No.: 112257-14-4
• Molecular Formula: C12H21 Br N2 O3
• Molecular Weight: 321.21
• DSSTox Substance ID: DTXSID40590238
• Wikidata: Q82483966
• Mol file: 112257-14-4.mol

Synonyms:1-Boc-4-bromoacetyl-1,4-diazepane;112257-14-4;tert-butyl 4-(2-bromoacetyl)-1,4-diazepane-1-carboxylate;SCHEMBL25246073;DTXSID40590238;DB-311887;tert-Butyl 4-(bromoacetyl)-1,4-diazepane-1-carboxylate

Chemical Property of 1-Boc-4-bromoacetyl-1,4-diazepane

Chemical Property:

• PSA: 49.85000
• LogP: 1.72650
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 320.07356
• Heavy Atom Count: 18
• Complexity: 315

Purity/Quality:

97% ^*data from raw suppliers

1-BOC-4-BROMOACETYL-1,4-DIAZEPANE 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)C(=O)CBr