Home Nitriles 5-(aminomethyl)-2-methylbenzonitrile

5-(aminomethyl)-2-methylbenzonitrile

CAS No.:
1261450-47-8
Catalog Number:
AG01BKDR
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
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Product Description
Catalog Number:
AG01BKDR
Chemical Name:
5-(aminomethyl)-2-methylbenzonitrile
CAS Number:
1261450-47-8
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
MDL Number:
MFCD18394352
IUPAC Name:
5-(aminomethyl)-2-methylbenzonitrile
InChI:
InChI=1S/C9H10N2/c1-7-2-3-8(5-10)4-9(7)6-11/h2-4H,5,10H2,1H3
InChI Key:
IBHTYPGPNKZSNB-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1)C#N)C
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.084g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.193g/mol
Monoisotopic Mass:
146.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties