4-Methoxybenzaldehyde [7-(2-hydroxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL]hydrazone
Basic information
- CAS
478253-20-2- Standard SMILES
COc1ccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2CCO)cc1- InChIKey
NIESMGKSSIYDMJ-RQZCQDPDSA-N- Molecular formula
- C16H18N6O4
- Average molar mass
- 358.35 g/mol
- Monoisotopic mass
- 358.13895308
Names & identifiers
- Preferred name
- 4-Methoxybenzaldehyde [7-(2-hydroxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL]hydrazone
- IUPAC
- 7-(2-hydroxyethyl)-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
- English name
- SALOR-INT L216135-1EA
- Molecular formula
- C16H18N6O4
- Molecular weight
- 358.35
Names & synonyms
478253-20-24-methoxybenzaldehyde [7-(2-hydroxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone4-METHOXYBENZALDEHYDE (7-(2-HYDROXYETHYL)-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)HYDRAZONERefChem:524711631-968-87-(2-Hydroxyethyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-3-methyl-1H-purine-2,6(3H,7H)-dione7-(2-hydroxyethyl)-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dioneSTL049042AKOS005702175AKOS024407817(E)-7-(2-hydroxyethyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-3-methyl-1H-purine-2,6(3H,7H)-dione6-hydroxy-7-(2-hydroxyethyl)-8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Show more names
SALOR-INT L216135-1EABenzaldehyde, 4-methoxy-, 2-[2,3,6,7-tetrahydro-7-(2-hydroxyethyl)-3-methyl-2,6-dioxo-1H-purin-8-yl]hydrazone
Database identifiers
- CAS
478253-20-2- PubChem CID
- 9687137
- EC Number
- 631-968-8
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 551
Physicochemical properties
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 9.48 · 9.48±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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