CC1=C(C(=C(C=C1)N)C#N)C
Nom: 6-amino-2,3-dimethylbenzonitrile
SMILES: CC1=C(C(=C(C=C1)N)C#N)C

Molecular Processing

Molecular formula
C9H10N2
Molecular weight
146.19
Exact mass
146.0844
XLogP
1.76
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
45.04

Supplementary Information

InChIKey: GWMFHFJUORXZIU-UHFFFAOYSA-N
Synonymes
SCHEMBL16220946-amino-2,3-dimethylbenzonitrileGWMFHFJUORXZIU-UHFFFAOYSA-N6-amino-2,3-dimethyl-benzonitrileAKOS006351959
Voir la source →
Impliqué dans 5 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→