Home Nitriles 2-(Isopropylamino)-4-methylbenzonitrile

2-(Isopropylamino)-4-methylbenzonitrile

CAS No.:
28195-00-8
Catalog Number:
AG00BUU9
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$667
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Product Description
Catalog Number:
AG00BUU9
Chemical Name:
2-(Isopropylamino)-4-methylbenzonitrile
CAS Number:
28195-00-8
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD00001828
IUPAC Name:
4-methyl-2-(propan-2-ylamino)benzonitrile
InChI:
InChI=1S/C11H14N2/c1-8(2)13-11-6-9(3)4-5-10(11)7-12/h4-6,8,13H,1-3H3
InChI Key:
HVKRBGJBJXDAGA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1NC(C)C)C
EC Number:
248-892-2
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties