Basic information
- CAS
2644-24-8- Standard SMILES
CCCCN(CCCC)CC(=O)OCC- InChIKey
OMKBLDWHKBELJV-UHFFFAOYSA-N- Molecular formula
- C12H25NO2
- Average molar mass
- 215.33 g/mol
- Monoisotopic mass
- 215.18852904
Names & identifiers
- Preferred name
- Glycine, N,N-dibutyl-, ethyl ester
- IUPAC
- ethyl 2-(dibutylamino)acetate
- English name
- 2-(Dibutylamino)acetic acid ethyl ester
- Molecular formula
- C12H25NO2
- Molecular weight
- 215.33
Names & synonyms
N,N-Dibutylglycine ethyl esterGLYCINE, N,N-DIBUTYL-, ETHYL ESTER2644-24-8BRN 1774139DTXSID601810264-04-00-02382 (Beilstein Handbook Reference)RefChem:346302DTXCID701035172-(Dibutylamino)acetic acid ethyl esterethyl N,N-dibutylglycinateSCHEMBL23270362AKOS009060777
Database identifiers
- CAS
2644-24-8- PubChem CID
- 17537
- DTXSID
DTXSID60181026- Nikkaji
- J75.698I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 113 · 113-115 °C(Press: 13 Torr)
- Density
- 0.907 · 0.907±0.06 g/cm3(Predicted)
- pka
- 7.53 · 7.53±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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