(1,4-Diazepan-1-yl)(2-methoxyphenyl)methanone

Base Information

• Chemical Name: (1,4-Diazepan-1-yl)(2-methoxyphenyl)methanone
• CAS No.: 61903-19-3
• Molecular Formula: C13H18N2O2
• Molecular Weight: 234.29400
• DSSTox Substance ID: DTXSID80588316
• Wikidata: Q82480917
• Mol file: 61903-19-3.mol

Synonyms:61903-19-3;(1,4-Diazepan-1-yl)(2-methoxyphenyl)methanone;1-(2-methoxybenzoyl)-1,4-diazepane;1-[(2-methoxyphenyl)carbonyl]-1,4-diazepane;1,4-diazepan-1-yl-(2-methoxyphenyl)methanone;DTXSID80588316;MFCD05879251;AKOS000132104;MCULE-8810052905;EN300-52660;G21322;Z111786738

Chemical Property of (1,4-Diazepan-1-yl)(2-methoxyphenyl)methanone

Chemical Property:

• PSA: 41.57000
• LogP: 1.39740
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 234.136827821
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

97% ^*data from raw suppliers

1-[(2-METHOXYPHENYL)CARBONYL]-1,4-DIAZEPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C(=O)N2CCCNCC2