Benzaldehyde (1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)hydrazone
Basic information
- CAS
478252-75-4- Standard SMILES
Cn1c(=O)c2c(nc(N/N=C/c3ccccc3)n2Cc2cccc3ccccc23)n(C)c1=O- InChIKey
KMEPERAMZALQOS-CVKSISIWSA-N- Molecular formula
- C25H22N6O2
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.18042397
Names & identifiers
- Preferred name
- Benzaldehyde (1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)hydrazone
- IUPAC
- 8-[(2E)-2-benzylidenehydrazinyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
- English name
- SALOR-INT L215201-1EA
- Molecular formula
- C25H22N6O2
- Molecular weight
- 438.48
Names & synonyms
478252-75-4BENZALDEHYDE [1,3-DIMETHYL-7-(1-NAPHTHYLMETHYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]HYDRAZONEBenzaldehyde (1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)hydrazoneRefChem:561299631-653-5(E)-8-(2-benzylidenehydrazinyl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dioneSTL054124AKOS005707030AKOS024407777(8E)-8-[(2E)-benzylidenehydrazinylidene]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7,8,9-tetrahydro-1H-purine-2,6-dioneSALOR-INT L215201-1EABenzaldehyde, 2-[2,3,6,7-tetrahydro-1,3-dimethyl-7-(1-naphthalenylmethyl)-2,6-dioxo-1H-purin-8-yl]hydrazone
Database identifiers
- CAS
478252-75-4- PubChem CID
- 6869397
- EC Number
- 631-653-5
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 753
Physicochemical properties
- Boiling point
- 694.5 · 694.5±65.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 12.34 · 12.34±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- 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
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…