COC1=CC=CC(=C1C#N)N
CAS: 1591-37-3
Name: 2-amino-6-methoxybenzonitrile
SMILES: COC1=CC=CC(=C1C#N)N

Molecular Processing

Molecular formula
C8H8N2O
Molecular weight
148.16
Exact mass
148.0637
XLogP
1.15
TPSA
59.04
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
42.12

Supplementary Information

InChIKey: LBVLXRZXEOPYDW-UHFFFAOYSA-N
Synonyme
2-amino-6-methoxybenzonitrile1591-37-3DTXSID80507800RefChem:255836DTXCID40458607Benzonitrile, 2-amino-6-methoxy-MFCD097452752-Amino-6-methoxy-benzonitrile6-Methoxyanthranilonitrile2-Cyano-3-methoxy-aniline6-methoxy-2-aminobenzonitrileSCHEMBL6203732-Amino-6-methoxy benzonitrileSCHEMBL28201161LBVLXRZXEOPYDW-UHFFFAOYSA-NAKOS006332434CS-W006615DS-2258FA10519SB75534SY035418DB-346864F221442
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