Home Nitriles 4-(N-BOC-Aminophenyl)acetonitrile

4-(N-BOC-Aminophenyl)acetonitrile

CAS No.:
1233249-35-8
Catalog Number:
AG009X28
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG009X28
Chemical Name:
4-(N-BOC-Aminophenyl)acetonitrile
CAS Number:
1233249-35-8
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD17465121
IUPAC Name:
tert-butyl N-[4-(cyanomethyl)phenyl]carbamate
InChI:
InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-11-6-4-10(5-7-11)8-9-14/h4-7H,8H2,1-3H3,(H,15,16)
InChI Key:
RMXGPJWRYXDDCW-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)NC(=O)OC(C)(C)C
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties