Nicotinamidine, N-(o-methoxyphenyl)-
Basic information
- CAS
23564-98-9- Standard SMILES
COc1ccccc1N=C(N)c1cccnc1- InChIKey
QBWYGJNTTNACJE-UHFFFAOYSA-N- Molecular formula
- C13H13N3O
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.10586205
Names & identifiers
- Preferred name
- Nicotinamidine, N-(o-methoxyphenyl)-
- IUPAC
- N'-(2-methoxyphenyl)pyridine-3-carboximidamide
Names & synonyms
Nicotinamidine, N-(o-methoxyphenyl)-23564-98-9N-(o-Methoxyphenyl)nicotinamidineBRN 0479747n'-(2-methoxyphenyl)pyridine-3-carboximidamide3-Pyridinecarboximidamide, N-(2-methoxyphenyl)-DTXSID50178182
Database identifiers
- CAS
23564-98-9- PubChem CID
- 211772
- DTXSID
DTXSID50178182
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
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Compound notes
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