Home Other Building Blocks 1-Isocyanato-3-methylbutane

1-Isocyanato-3-methylbutane

CAS No.:
1611-65-0
Catalog Number:
AG001S5Q
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$275
- +
1g
95%
In Stock USA
United States
$338
- +
5g
95%
In Stock USA
United States
$1175
- +
10g
95%
In Stock USA
United States
$1900
- +
Product Description
Catalog Number:
AG001S5Q
Chemical Name:
1-Isocyanato-3-methylbutane
CAS Number:
1611-65-0
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
MDL Number:
MFCD09901277
IUPAC Name:
1-isocyanato-3-methylbutane
InChI:
InChI=1S/C6H11NO/c1-6(2)3-4-7-5-8/h6H,3-4H2,1-2H3
InChI Key:
UQNAQAROTUILLB-UHFFFAOYSA-N
SMILES:
CC(CCN=C=O)C
Properties
Complexity:
92.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties