Thiocyanic acid, (12-aminododecyl) ester

Base Information

• Chemical Name: Thiocyanic acid, (12-aminododecyl) ester
• CAS No.: 64047-97-8
• Molecular Formula: C13H26 N2 S
• Molecular Weight: 242.4239
• DSSTox Substance ID: DTXSID70214132
• Wikidata: Q83089896

Synonyms:Thiocyanic acid, (12-aminododecyl) ester;64047-97-8;DTXSID70214132

Chemical Property of Thiocyanic acid, (12-aminododecyl) ester

Chemical Property:

• Vapor Pressure: 1.27E-05mmHg at 25°C
• Boiling Point: 368.5°C at 760 mmHg
• Flash Point: 176.6°C
• PSA: 75.11000
• Density: 0.953g/cm³
• LogP: 4.76068
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 242.18167001
• Heavy Atom Count: 16
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCSC#N)CCCCCN

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