Home Nitriles 2-Amino-5-(1-methylethyl)benzonitrile

2-Amino-5-(1-methylethyl)benzonitrile

CAS No.:
549488-76-8
Catalog Number:
AG003GH7
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$188
- +
1g
95%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG003GH7
Chemical Name:
2-Amino-5-(1-methylethyl)benzonitrile
CAS Number:
549488-76-8
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD11977495
IUPAC Name:
2-amino-5-propan-2-ylbenzonitrile
InChI:
InChI=1S/C10H12N2/c1-7(2)8-3-4-10(12)9(5-8)6-11/h3-5,7H,12H2,1-2H3
InChI Key:
IJUCGGBOPBJYSG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N)C(C)C
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties