7H-purin-2-ol
Basic information
- CAS
2308-57-8- Standard SMILES
O=c1ncc2[nH]cnc2[nH]1- InChIKey
CRIZPXKICGBNKG-UHFFFAOYSA-N- Molecular formula
- C5H4N4O
- Average molar mass
- 136.11 g/mol
- Monoisotopic mass
- 136.03851076
Names & identifiers
- Preferred name
- 7H-purin-2-ol
- IUPAC
- 3,7-dihydropurin-2-one
- English name
- 2-Hydroxypurine
- Molecular formula
- C5H4N4O
- Molecular weight
- 136.11
Names & synonyms
7H-Purin-2-olRefChem:547120898-705-92-Hydroxypurine1h-purin-2-ol2308-57-89H-Purin-2-ol2-Oxopurine51953-15-23,7-dihydropurin-2-one1,3-Dihydro-2H-purin-2-one95121-01-0
Show more names
2OH-Purine2-Hydroxy-9H-purine2-Hydroxy-1H-purine2(1H)-Oxo-9H-purine9H-Purine-2(3H)-one1,3-dihydro-2h-purin-2-on
2H-Purin-2-one, 1,3-dihydro-2-PurinolPurin-2-olPurin-2(1H)-one1H-Purin-2-ol (9CI)oxypurineoxodihydropurine9H-Purin-2-ol #
Database identifiers
- CAS
2308-57-8- PubChem CID
- 75323
- DTXSID
DTXSID70177652- EC Number
- 898-705-9
- Nikkaji
- J236.356I
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Density
- 1.89 · 1.89±0.1 g/cm3(Predicted)
- pka
- 6.33 · 6.33±0.20(Predicted)
- WGK Germany
- 3 · 3
- RTECS
- 790850 · UP0790850
- Toxicity
- 50 · rat,LD50,intraperitoneal,320mg/kg (320mg/kg),Japanese Kokai Tokyo Koho Patents. Vol. #78-55733,
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- UP0790850
- Toxicity
- rat,LD50,intraperitoneal,320mg/kg (320mg/kg),Japanese Kokai Tokyo Koho Patents. Vol. #78-55733,
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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