Home Nitriles 4-(aminomethyl)-3-methoxybenzonitrile

4-(aminomethyl)-3-methoxybenzonitrile

CAS No.:
182159-14-4
Catalog Number:
AG01AUWB
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
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Product Description
Catalog Number:
AG01AUWB
Chemical Name:
4-(aminomethyl)-3-methoxybenzonitrile
CAS Number:
182159-14-4
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD11617330
IUPAC Name:
4-(aminomethyl)-3-methoxybenzonitrile
InChI:
InChI=1S/C9H10N2O/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4H,6,11H2,1H3
InChI Key:
JNJAPMLMOXTHJP-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ccc1CN
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