Home Nitriles 3,4-diamino-5-methoxybenzonitrile

3,4-diamino-5-methoxybenzonitrile

CAS No.:
861258-97-1
Catalog Number:
AG01B5JJ
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
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Product Description
Catalog Number:
AG01B5JJ
Chemical Name:
3,4-diamino-5-methoxybenzonitrile
CAS Number:
861258-97-1
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD16878440
IUPAC Name:
3,4-diamino-5-methoxybenzonitrile
InChI:
InChI=1S/C8H9N3O/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-3H,10-11H2,1H3
InChI Key:
VIHPYUJKPGNDQZ-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc(c1N)N
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties