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Home Other Building Blocks Octyl isocyanate

Octyl isocyanate

CAS No.:
3158-26-7
Catalog Number:
AG003EL0
Molecular Formula:
C9H17NO
Molecular Weight:
155.2374
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$96
- +
5g
1 week
United States
$174
- +
10g
1 week
United States
$214
- +
Product Description
Catalog Number:
AG003EL0
Chemical Name:
Octyl isocyanate
CAS Number:
3158-26-7
Molecular Formula:
C9H17NO
Molecular Weight:
155.2374
MDL Number:
MFCD00013887
IUPAC Name:
1-isocyanatooctane
InChI:
InChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
InChI Key:
DYQFCTCUULUMTQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCN=C=O
EC Number:
221-598-1
Properties
Complexity:
117  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.131g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.241g/mol
Monoisotopic Mass:
155.131g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Self-assembly of supramolecualr metallogelator containing 2-(2'-hydroxyphenyl) benzoxazole/Zn(II) chelate. Journal of nanoscience and nanotechnology 20101001
An FTIR investigation of isocyanate skin absorption using in vitro guinea pig skin. Journal of environmental monitoring : JEM 20060501
A highly directional fourfold hydrogen-bonding motif for supramolecular structures through self-assembly of fullerodendrimers. Chemistry (Weinheim an der Bergstrasse, Germany) 20051104
Properties