Basic information
- CAS
42270-85-9- Standard SMILES
N#CCC(=O)OCCCCOC(=O)CC#N- InChIKey
PKRAUMGVQZMFDE-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Names & identifiers
- Preferred name
- 1,4-Butanediyl bis(cyanoacetate)
- IUPAC
- 4-(2-cyanoacetyl)oxybutyl 2-cyanoacetate
- English name
- 1,4-butanediyl bis(cyanoacetate)
- Molecular formula
- C10H12N2O4
- Molecular weight
- 224.21
Names & synonyms
1,4-Butanediyl bis(cyanoacetate)42270-85-9butane-1,4-diyl bis(cyanoacetate)EINECS 255-744-0NSC70103AI3-26923NCIOpen2_003433SCHEMBL20368988DTXSID00195102PKRAUMGVQZMFDE-UHFFFAOYSA-NNSC 70103NSC-70103
Show more names
Bis(cyanoacetic acid)1,4-butanediylBis(cyanoacetic acid)tetramethylene esterBis(2-cyanoacetic acid)tetramethylene esterAcetic acid, 2-cyano-, 1,1'-(1,4-butanediyl) ester
NSC122397AKOS024335032NSC 122397NSC-1223971,4-BUTANEDIOL BIS(CYANOACETATE)Acetic acid, cyano-, 1,4-butanediyl esterNS00031146
Database identifiers
- CAS
42270-85-9- PubChem CID
- 96362
- DTXSID
DTXSID00195102- EC Number
- 255-744-0
- Nikkaji
- J278.374F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 436.5 · 436.5±30.0 °C(Predicted)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- pka
- 2.68 · 2.68±0.10(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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