Diethyl 2-(2-cyanoethyl)malonate - CAS 17216-62-5
Catalog: |
BB012798 |
Product Name: |
Diethyl 2-(2-cyanoethyl)malonate |
CAS: |
17216-62-5 |
Synonyms: |
diethyl 2-(2-cyanoethyl)propanedioate |
IUPAC Name: | diethyl 2-(2-cyanoethyl)propanedioate |
Description: | Diethyl 2-(2-cyanoethyl)malonate (CAS# 17216-62-5) is a useful research chemical. |
Molecular Weight: | 213.23 |
Molecular Formula: | C10H15NO4 |
Canonical SMILES: | CCOC(=O)C(CCC#N)C(=O)OCC |
InChI: | InChI=1S/C10H15NO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-6H2,1-2H3 |
InChI Key: | YJJLOESDBPRZIP-UHFFFAOYSA-N |
Boiling Point: | 115-118 °C (2 mmHg) |
Purity: | 95 % |
Density: | 1.078 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
MDL: | MFCD00001966 |
LogP: | 1.03258 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021061154-A1 | Diastereomeric linking reagents for nucleotide probes | 20190927 |
WO-2021042058-A2 | Recombinant host cells for the production of malonate | 20190830 |
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 |
EP-3835329-A1 | Polymerization initiator, curable composition, dental material, and preparation kit for curable composition | 20180809 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.10010796 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 76.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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