Azepan-2-one;1,3-diisocyanato-2-methylbenzene

Base Information

• Chemical Name: Azepan-2-one;1,3-diisocyanato-2-methylbenzene
• CAS No.: 67874-95-7
• Molecular Formula: C15H17N3O3
• Molecular Weight: 287.3138
• DSSTox Substance ID: DTXSID50987236
• Mol file: 67874-95-7.mol

Synonyms:67874-95-7;DTXSID50987236;(C9-H6-N2-O2.C6-H11-N-O)x-;3,4,5,6-Tetrahydro-2H-azepin-7-ol--1,3-diisocyanato-2-methylbenzene (1/1)

Chemical Property of Azepan-2-one;1,3-diisocyanato-2-methylbenzene

Chemical Property:

• Vapor Pressure: 0.0243mmHg at 25°C
• Boiling Point: 248.4°Cat760mmHg
• Flash Point: 110.5°C
• PSA: 91.45000
• Density: g/cm³
• LogP: 2.88210
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 287.12699141
• Heavy Atom Count: 21
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1N=C=O)N=C=O.C1CCC(=O)NCC1