1-Oxa-4,7,10-triazacyclododecane

Base Information

• Chemical Name: 1-Oxa-4,7,10-triazacyclododecane
• CAS No.: 53835-21-5
• Molecular Formula: C8H19 N3 O
• Molecular Weight: 173.258
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40354392
• Nikkaji Number: J678.902A
• Wikidata: Q82132488
• ChEMBL ID: CHEMBL1348806
• Mol file: 53835-21-5.mol

Synonyms:1-oxa-4,7,10-triazacyclododecane;53835-21-5;Oxacyclen;MLS000556243;Oprea1_712757;SCHEMBL242370;CHEMBL1348806;DTXSID40354392;NLINGGCQUVARNS-UHFFFAOYSA-N;HMS2338P20;STL334905;1-Oxa-4,7,10-triaza-cyclododecane;AKOS001586489;SMR000147560;EU-0066810;SR-01000389987;SR-01000389987-1

Chemical Property of 1-Oxa-4,7,10-triazacyclododecane

Chemical Property:

• Vapor Pressure: 0.000761mmHg at 25°C
• Melting Point: 80-85 °C
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 306.7°C at 760 mmHg
• Flash Point: 110 °C
• PSA: 45.32000
• Density: 1.0306 (rough estimate)
• LogP: -0.22820
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 173.152812238
• Heavy Atom Count: 12
• Complexity: 90.3

Purity/Quality:

99% ^*data from raw suppliers

1-OXA-4,7,10-TRIAZACYCLODODECANE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCOCCNCCN1