Basic information
- CAS
5375-49-5- Standard SMILES
CNC(=O)Oc1cccc2c1C=CC(O)C2O- InChIKey
YFHMZQOVLAGRRU-UHFFFAOYSA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.0844579
Names & identifiers
- Preferred name
- 5,6-Dihydrodihydroxycarbaryl
- IUPAC
- (5,6-dihydroxy-5,6-dihydronaphthalen-1-yl) N-methylcarbamate
- English name
- Methylcarbamic acid 1,2-dihydro-1,2-dihydroxynaphthalen-5-yl ester
- Molecular formula
- C12H13NO4
- Molecular weight
- 235.24
Names & synonyms
5,6-Dihydrodihydroxycarbaryl5375-49-595QK29S8TS1,2-Dihydro-1,2,5-naphthalenetriol 5-(methylcarbamate)UNII-95QK29S8TS1,2,5-Naphthalenetriol, 1,2-dihydro-, 5-(methylcarbamate)Carbamic acid, methyl-, 5,6-dihydro-5,6-dihydroxy-1-naphthyl ester5,6-DIHYDRO-5,6-DIHYDROXY-1-NAPHTHYL N-METHYLCARBAMATE1,2,5-NAPHTHALENETRIOL, 1,2-DIHYDRO-, 5-(N-METHYLCARBAMATE)RefChem:198819DTXSID50863526(5,6-dihydroxy-5,6-dihydronaphthalen-1-yl) N-methylcarbamate
Show more names
Torasemide Impurity 51(Pyrimethanil)
Methylcarbamic acid 1,2-dihydro-1,2-dihydroxynaphthalen-5-yl esterCarbaryl-5,6-dihydro-5,6-dihydroxy5,6-dihydro-5,6-dihydroxy-1-naphthyl methylcarbamate5,6-Dihydroxy-5,6-dihydronaphthalen-1-yl methylcarbamate
Database identifiers
- CAS
5375-49-5- PubChem CID
- 79338
- DTXSID
DTXSID50863526- UNII
- 95QK29S8TS
- Nikkaji
- J104.504K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 147 °C · >147°C (Dec.)
- Boiling point
- 416.9 · 416.9±45.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Acetone (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.15 · 12.15±0.46(Predicted)
- color
- Light Brown to Brown
- FDA UNII
- 95 QK29S8TS · 95QK29S8TS
Chemistry & industry
Applications
Uses5,6-Dihydrodihydroxycarbaryl is a metabolite of carbaryl in urine and milk.
Suppliers1 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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