Home Nitriles 3-amino-5-(aminomethyl)benzonitrile

3-amino-5-(aminomethyl)benzonitrile

CAS No.:
1369924-42-4
Catalog Number:
AG01C2H3
Molecular Formula:
C8H9N3
Molecular Weight:
147.1772
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Product Description
Catalog Number:
AG01C2H3
Chemical Name:
3-amino-5-(aminomethyl)benzonitrile
CAS Number:
1369924-42-4
Molecular Formula:
C8H9N3
Molecular Weight:
147.1772
MDL Number:
MFCD22544457
IUPAC Name:
3-amino-5-(aminomethyl)benzonitrile
InChI:
InChI=1S/C8H9N3/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3H,4,9,11H2
InChI Key:
LTKCNBZVUAONSB-UHFFFAOYSA-N
SMILES:
NCc1cc(C#N)cc(c1)N
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.08g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
147.181g/mol
Monoisotopic Mass:
147.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties