Basic information
- CAS
21418-71-3- Standard SMILES
CCOC(=O)C=C1NCCN1- InChIKey
AJVPMOFVVCIKAP-UHFFFAOYSA-N- Molecular formula
- C7H12N2O2
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.08987762
Names & identifiers
- Preferred name
- Ethyl (imidazolidin-2-ylidene)acetate
- IUPAC
- ethyl 2-imidazolidin-2-ylideneacetate
- English name
- 2-(2-IMIDAZOLIDINYLIDENE)-ACETIC ACID ETHYL ESTER
- Molecular formula
- C7H12N2O2
- Molecular weight
- 156.18
Names & synonyms
21418-71-3DTXSID30495243Ethyl (imidazolidin-2-ylidene)acetateRefChem:341834DTXCID304460532-(2-IMIDAZOLIDINYLIDENE)-ACETIC ACID ETHYL ESTERethyl imidazolidin-2-ylideneacetateSCHEMBL11724987AJVPMOFVVCIKAP-UHFFFAOYSA-N2-carbethoxymethylideneimidazolidineAKOS0023919212-(ethoxycarbonylmethylene)imidazolidine
Show more names
ACETIC ACID, 2-(2-IMIDAZOLIDINYLIDENE)-, ETHYL ESTER
Database identifiers
- CAS
21418-71-3- PubChem CID
- 12377942
- DTXSID
DTXSID30495243- Nikkaji
- J1.707.469E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 115 · 115-117 °C
- Boiling point
- 295.4 · 295.4±40.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- pka
- 6.32 · 6.32±0.20(Predicted)
- HS Code
- 29332900 · 29332900
Safety & regulation
Safety data
- hs_code
- 29332900
Related reactions
27 records
Compound notes
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