Basic information
- CAS
3567-43-9- Standard SMILES
CC(O)CC(C)(COC(N)=O)COC(N)=O- InChIKey
KYFPTQOMOYSVDJ-UHFFFAOYSA-N- Molecular formula
- C9H18N2O5
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.12157168
Names & identifiers
- Preferred name
- [2-(Carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] carbamate
- IUPAC
- [2-(carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] carbamate
- English name
- CarbaMic Acid 2-(2-Hydroxypropyl)-2-MethyltriMethylene Ester
- Molecular formula
- C9H18N2O5
- Molecular weight
- 234.25
Names & synonyms
Hydroxy Meprobamate3567-43-9[2-(carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] carbamateCarbamic Acid 2-(2-Hydroxypropyl)-2-methyltrimethylene EsterHydroxymeprobamate2-[[(Aminocarbonyl)oxy]methyl]-2-methyl-1,4-pentanediol 1-Carbamate; Carbamic Acid 2-(2-Hydroxypropyl)-2-methyltrimethylene Ester;CHEMBL3706481DTXSID70338327KYFPTQOMOYSVDJ-UHFFFAOYSA-NDAA567432-[(CARBAMOYLOXY)METHYL]-4-HYDROXY-2-METHYLPENTYL CARBAMATE2-[[(AMinocarbonyl)oxy]Methyl]-2-Methyl-1,4-pentanediol 1-CarbaMate
Show more names
1,4-Pentanediol, 2-[[(aminocarbonyl)oxy]methyl]-2-methyl-, 1-carbamate
Database identifiers
- CAS
3567-43-9- PubChem CID
- 548432
- DTXSID
DTXSID70338327- ChEMBL
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 95 · 95-96 °C
- Boiling point
- 498.7 · 498.7±40.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly, Heated), Methanol
- form
- Gel
- pka
- 13.08 · 13.08±0.50(Predicted)
- color
- Clear Colourless to Pale Yellow
Chemistry & industry
Applications
UsesHydroxy Meprobamate is the major metabolite of Meprobamate (M227750).
Upstream & downstream products
Upstream raw materials
Suppliers5 total
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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