Ethyl 2,3-dicyanopropionate
Properties
- Molecular formula
- C7H8N2O2
- Molar mass
- 152.15 g/mol
- Exact mass
- 152.0586 Da
- Boiling point
- 120–135 °C
- logP
- 0.60Crippen estimate
- Polar surface area
- 73.9 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 3
Identifiers
CAS number
40497-11-8SMILES
CCOC(=O)C(C#N)CC#NInChIKey
NPZOLWMDTPEVEI-UHFFFAOYSA-NInChI
InChI=1S/C7H8N2O2/c1-2-11-7(10)6(5-9)3-4-8/h6H,2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Propanoic acid, 2,3-dicyano-, ethyl ester
- Propionic acid, 2,3-dicyano-, ethyl ester
- Ethyl 2,3-dicyanopropanoate
- 2,3-Dicyanopropionic acid ethyl ester
- 2,3-Dicyanopropanoic acid ethyl ester
Work with Ethyl 2,3-dicyanopropionate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Ethyl 2-cyanopropanoate1572-99-259 % similar
3-Cyano-1,1-propanedicarboxylic acid diethyl ester17216-62-556 % similar
1,1,1-Triethyl methanetricarboxylate6279-86-348 % similar
Ethyl 2-(acetylamino)-2-cyanoacetate4977-62-248 % similar
1,3-Diethyl 2-(1-methylethyl)propanedioate759-36-447 % similar
Ethyl cyanoacetate105-56-646 % similar
Ethyl cyclopropanecarboxylate4606-07-945 % similar
Diethyl methylmalonate609-08-545 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
N-Methyl-4-nitroaniline100-15-2
4-Methyl-3-nitroaniline119-32-4
2,6-Dimethyl-3-nitropyridine15513-52-7
4,6-Dimethyl-5-pyrimidinecarboxylic acid157335-93-8
6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4
N-(Hydroxymethyl)nicotinamide3569-99-1
Methyl 3-amino-2-pyridinecarboxylate36052-27-4
3-Hydrazinobenzoic acid38235-71-1