Basic information
- CAS
63362-22-1- Standard SMILES
CNCc1nc2ccccc2c(C)[n+]1[O-]- InChIKey
VZCZFVLNIHLQMA-UHFFFAOYSA-N- Molecular formula
- C11H13N3O
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.10586205
Names & identifiers
- Preferred name
- N-Methyl-1-(4-methyl-3-oxo-3lambda~5~-quinazolin-2-yl)methanamine
- IUPAC
- N-methyl-1-(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methanamine
Names & synonyms
DTXSID8049503163362-22-1N-Methyl-1-(4-methyl-3-oxo-3lambda~5~-quinazolin-2-yl)methanamineRefChem:364380DTXCID50445841NSC64067NSC-64067
Database identifiers
- CAS
63362-22-1- PubChem CID
- 12374821
- DTXSID
DTXSID80495031
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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