N,N,N~2~-Triethylasparagine
Basic information
- CAS
28646-22-2- Standard SMILES
CCNC(CC(=O)N(CC)CC)C(=O)O- InChIKey
WOQAXLUWURNADZ-UHFFFAOYSA-N- Molecular formula
- C10H20N2O3
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.1473925
Names & identifiers
- Preferred name
- N,N,N~2~-Triethylasparagine
- IUPAC
- 4-(diethylamino)-2-(ethylamino)-4-oxobutanoic acid
Names & synonyms
28646-22-2N,N,N~2~-TriethylasparagineDTXSID50951311RefChem:1090366DTXCID601379432DL-N,N,N(sup 2)-TriethylasparagineBRN 3947559ASPARAGINE, N,N,N(sup 2)-TRIETHYL-, DL-N(sup 2)-Etil-N,N-dietil-beta-DL-asparagina [Italian]N(sup 2)-Etil-N,N-dietil-beta-DL-asparagina
Database identifiers
- CAS
28646-22-2- PubChem CID
- 34301
- DTXSID
DTXSID50951311
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
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Compound notes
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