sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Propyl isocyanate

Propyl isocyanate

CAS No.:
110-78-1
Catalog Number:
AG0035J2
Molecular Formula:
C4H7NO
Molecular Weight:
85.1045
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0035J2
Chemical Name:
Propyl isocyanate
CAS Number:
110-78-1
Molecular Formula:
C4H7NO
Molecular Weight:
85.1045
MDL Number:
MFCD00002045
IUPAC Name:
1-isocyanatopropane
InChI:
InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3
InChI Key:
OQURWGJAWSLGQG-UHFFFAOYSA-N
SMILES:
CCCN=C=O
EC Number:
203-803-6
NSC Number:
89688
UN Number:
2482
Properties
Complexity:
63.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
85.053g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
85.106g/mol
Monoisotopic Mass:
85.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
An N-halamine-based rechargeable antimicrobial and biofilm controlling polyurethane. Acta biomaterialia 20120401
Validation of transferability of DBA derivatization and LC-MS/MS determination method for isocyanates via an interlaboratory comparison. The Annals of occupational hygiene 20081101
Determination of rotary diffusivity of poly(n-propyl isocyanate) by molecular dynamics. The Journal of chemical physics 20061228
Chip-based on-line nanospray MS method enabling study of the kinetics of isocyanate derivatization reactions. Analytical chemistry 20051101
Validation of a solvent-free sampler for the determination of low molecular weight aliphatic isocyanates under thermal degradation conditions. Journal of occupational and environmental hygiene 20050901
Cp*RuCl-catalyzed [2 + 2 + 2] cycloadditions of alpha,omega-diynes with electron-deficient carbon-heteroatom multiple bonds leading to heterocycles. Journal of the American Chemical Society 20050119
Properties