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Basic information
- CAS
3146-66-5- Standard SMILES
C=CCC1(CCCC)C(=O)NC(=O)NC1=O- InChIKey
RRWVWLGUQPLOMY-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.11609237
Names & identifiers
- Preferred name
- 5-Allyl-5-butylbarbituric acid
- IUPAC
- 5-Butyl-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
- English name
- 5-allyl-5-butylbarbituric acid
- Molecular formula
- C11H16N2O3
- Molecular weight
- 224.26
Names & synonyms
Einecs 221-562-5Butalbital Impurity 3n-ButylallylbarbitoneButalbital Impurity GAllyl-butyl-barbitursaeuren-Butylallylbarbituric acid5-allyl-5-butylbarbituric acid5-Allyl-5-butylpyrimidine-2,4,6(1H,3H,5H)-trione5-butyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(2-propen-1-yl)-
Database identifiers
- CAS
3146-66-5- PubChem CID
- 48522
- DTXSID
DTXSID90185370- ChEMBL
CHEMBL467779- UNII
- 41NVK1648Q
- EC Number
- 221-562-5
- Nikkaji
- J111.361E
Properties
Physicochemical properties
- Melting point
- 110 °C · 110 °C
- Boiling point
- 365.66 °C · 365.66°C (rough estimate)
- Density
- 1.1672 · 1.1672 (rough estimate)
- refractive index
- 1.472 · 1.4720 (estimate)
- pka
- 7.8 · 7.80±0.10(Predicted)
- Water Solubility
- 1.508 g/L · 1.508g/L(20 ºC)
- FDA UNII
- 41 NVK1648Q · 41NVK1648Q
Chemistry & industry
Applications
UsesIdobutal is used in the biotransformation of drugs, quantitative structure-activity relations, substance for the determination of barbiturates in the urine by using enzyme immunoassay and radio immunoassay, estimation of the solubility of drug like-organic compounds-case study in barbiturates.
Upstream & downstream products
Upstream raw materials
Suppliers9 total
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳市祥根生物医药有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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