Diethyl butylmalonate - CAS 133-08-4
Catalog: |
BB007692 |
Product Name: |
Diethyl butylmalonate |
CAS: |
133-08-4 |
Synonyms: |
Diethyl n-butylmalonate; Butylmalonic acid diethyl ester; Propanedioic acid, butyl-, diethyl ester |
IUPAC Name: | diethyl 2-butylpropanedioate |
Description: | Diethyl butylmalonate is used as a reagent in the synthesis of 2,5-dihydropyrrole formyl hydroxyamino derivatives as peptide deformylase inhibitors against drug-resistant bacteria. |
Molecular Weight: | 216.27 |
Molecular Formula: | C11H20O4 |
Canonical SMILES: | CCCCC(C(=O)OCC)C(=O)OCC |
InChI: | InChI=1S/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H3 |
InChI Key: | RPNFNBGRHCUORR-UHFFFAOYSA-N |
Boiling Point: | 235-240 ℃ |
Melting Point: | 119 ℃ |
Purity: | 99 % |
Density: | 0.983 g/cm3 |
Appearance: | Clear colourless liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00009170 |
LogP: | 1.91900 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021135265-A1 | Anion conductive polymers and related methods | 20191104 |
WO-2020231526-A1 | Polypropylene-based compositions | 20190515 |
WO-2020231716-A1 | Activated catalyst components for olefin polymerization | 20190510 |
WO-2020031897-A1 | Polymerization initiator, curable composition, dental material, and preparation kit for curable composition | 20180809 |
US-2021130580-A1 | Polymerization initiator, curable composition, dental material, and preparation kit for curable composition | 20180809 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.13615911 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.13615911 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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