Basic information
- CAS
13080-06-3- Standard SMILES
CCCCC(CC)(C(=O)OCC)C(=O)OCCN(CC)CC- InChIKey
CQXNKORKKPMCPE-UHFFFAOYSA-N- Molecular formula
- C17H33NO4
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.24095853
Names & identifiers
- Preferred name
- 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate
- IUPAC
- 1-O-[2-(diethylamino)ethyl] 3-O-ethyl 2-butyl-2-ethylpropanedioate
Names & synonyms
13080-06-3RefChem:10538851-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioateButylethylmalonic acid 2-(diethylamino)ethyl ethyl esterSch 5712BRN 1799246Butylaethylmalonsaeure-aethyl-diaethylaminoaethyl-di-ester [German]Propanedioic acid, butylethyl-, 2-(diethylamino)ethyl ethyl esterMALONIC ACID, BUTYLETHYL-, 2-(DIETHYLAMINO)ETHYL ETHYL ESTER4-04-00-01482 (Beilstein Handbook Reference)Butylaethylmalonsaeure-aethyl-diaethylaminoaethyl-di-esterDTXSID60926914
Show more names
ethyl 2-diethylaminoethyl 2-ethyl-2-butyl-malonate2-(diethylamino)ethyl ethyl butyl(ethyl)propanedioate
Database identifiers
- CAS
13080-06-3- PubChem CID
- 25684
- DTXSID
DTXSID60926914
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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