Home Nitriles Benzonitrile, 4-[[(1-methylethyl)amino]methyl]-

Benzonitrile, 4-[[(1-methylethyl)amino]methyl]-

CAS No.:
91350-01-5
Catalog Number:
AG00IGM2
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
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Product Description
Catalog Number:
AG00IGM2
Chemical Name:
Benzonitrile, 4-[[(1-methylethyl)amino]methyl]-
CAS Number:
91350-01-5
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD09807206
IUPAC Name:
4-[(propan-2-ylamino)methyl]benzonitrile
InChI:
InChI=1S/C11H14N2/c1-9(2)13-8-11-5-3-10(7-12)4-6-11/h3-6,9,13H,8H2,1-2H3
InChI Key:
VVLNSEKTUWLLMY-UHFFFAOYSA-N
SMILES:
CC(NCc1ccc(cc1)C#N)C
Properties
Complexity:
182  
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:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties