Home Nitriles 3,5-Diaminobenzonitrile

3,5-Diaminobenzonitrile

CAS No.:
33786-93-5
Catalog Number:
AG003IKO
Molecular Formula:
C7H7N3
Molecular Weight:
133.1506
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Product Description
Catalog Number:
AG003IKO
Chemical Name:
3,5-Diaminobenzonitrile
CAS Number:
33786-93-5
Molecular Formula:
C7H7N3
Molecular Weight:
133.1506
MDL Number:
MFCD08705269
IUPAC Name:
3,5-diaminobenzonitrile
InChI:
InChI=1S/C7H7N3/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,9-10H2
InChI Key:
PWINPIZUWNKSPS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)cc(c1)N
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.064g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
133.154g/mol
Monoisotopic Mass:
133.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Stepwise aromatic nucleophilic substitution in continuous flow. Synthesis of an unsymmetrically substituted 3,5-diamino-benzonitrile library. Molecular diversity 20110801
Properties