Home Nitriles 5-(aminomethyl)-2-methoxybenzonitrile

5-(aminomethyl)-2-methoxybenzonitrile

CAS No.:
169045-13-0
Catalog Number:
AG01AEH7
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
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Product Description
Catalog Number:
AG01AEH7
Chemical Name:
5-(aminomethyl)-2-methoxybenzonitrile
CAS Number:
169045-13-0
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD18394240
IUPAC Name:
5-(aminomethyl)-2-methoxybenzonitrile
InChI:
InChI=1S/C9H10N2O/c1-12-9-3-2-7(5-10)4-8(9)6-11/h2-4H,5,10H2,1H3
InChI Key:
QHAVONPWXPPJTK-UHFFFAOYSA-N
SMILES:
N#Cc1cc(CN)ccc1OC
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties