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Basic information
- CAS
6589-36-2- Standard SMILES
CCC(C)n1c(=O)cc(C)[nH]c1=O- InChIKey
JXSCGNUFPLOCLH-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.10552769
Names & identifiers
- Preferred name
- 3-sec-Butyl-6-methyluracil
- IUPAC
- 3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione
- English name
- 3-sec-butyl-6-methyluracil
- Molecular formula
- C9H14N2O2
- Molecular weight
- 182.22
Names & synonyms
3-sec-Butyl-6-methyluracil6589-36-245N59TL1XMNSC 310276NSC-310276UNII-45N59TL1XM6-Methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedioneEINECS 229-521-32,4(1H,3H)-Pyrimidinedione, 6-methyl-3-(1-methylpropyl)-RefChem:95429229-521-33-(butan-2-yl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Show more names
6-Methyl-3-(1-methylpropyl)uracil
3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dioneNSC3102763-s-butyl-6-methyluracilSCHEMBL9218487JXSCGNUFPLOCLH-UHFFFAOYSA-NDTXSID401210872GAA58936AKOS006331684
Database identifiers
- CAS
6589-36-2- PubChem CID
- 100019
- DTXSID
DTXSID401210872- UNII
- 45N59TL1XM
- EC Number
- 229-521-3
- Nikkaji
- J225.206F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 118 · 118-120 °C
- Density
- 1.094 · 1.094±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 10.01 · 10.01±0.40(Predicted)
- color
- White to Off-White
- FDA UNII
- 45 N59TL1XM · 45N59TL1XM
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses3-sec-Butyl-6-methyluracil is a general reagent used in the synthesis of tri.tetracyclic isoindolinones. Also used in the preparation of pesticides and herbicides.
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
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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