Introduction:Basic information about CAS 16417-02-0|3-butylquinazolin-4-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-butylquinazolin-4-one |
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| CAS Number | 16417-02-0 | Molecular Weight | 202.25200 |
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| Density | 1.11g/cm3 | Boiling Point | 336ºC at 760mmHg |
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| Molecular Formula | C12H14N2O | Melting Point | / |
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| MSDS | / | Flash Point | 157ºC |
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Names
| Name | 3-butylquinazolin-4-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.11g/cm3 |
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| Boiling Point | 336ºC at 760mmHg |
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| Molecular Formula | C12H14N2O |
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| Molecular Weight | 202.25200 |
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| Flash Point | 157ºC |
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| Exact Mass | 202.11100 |
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| PSA | 34.89000 |
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| LogP | 2.19660 |
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| Vapour Pressure | 0.000115mmHg at 25°C |
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| Index of Refraction | 1.583 |
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| InChIKey | ZZSCVVWJRCJHPA-UHFFFAOYSA-N |
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| SMILES | CCCCn1cnc2ccccc2c1=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- VA2455500
- CHEMICAL NAME :
- 4(3H)-Quinazolinone, 3-butyl-
- CAS REGISTRY NUMBER :
- 16417-02-0
- BEILSTEIN REFERENCE NO. :
- 0147718
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C12-H14-N2-O
- MOLECULAR WEIGHT :
- 202.28
- WISWESSER LINE NOTATION :
- T66 BVN ENJ C4
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For publisher information, see EJMCA5. Volume(issue)/page/year: 2,202,1967
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Synonyms
| 3-butyl-3H-quinazolin-4-one |
| 3-Butyl-4(3H)-quinazolinone |
| 4-Quinazolone,3-butyl |
| 3-Butyl-3H-chinazolin-4-on |
| 4(3H)-Quinazolinone,3-butyl |
| 3-butylquinazolin-4(3H)-one |
| N3-n-butylquinazolin-4-one |
| 3-n-butylquinazolin-4-one |
| 3-(n-butyl)quinazolin-4(3H)-one |