Basic information
- CAS
13005-52-2- Standard SMILES
CCCCCCCCCCCC(=O)N(C)CC(=O)OCC- InChIKey
SYMLPHXUMNTFCM-UHFFFAOYSA-N- Molecular formula
- C17H33NO3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.24604391
Names & identifiers
- Preferred name
- Ethyl N-methyl-N-(1-oxododecyl)aminoacetate
- IUPAC
- ethyl 2-[dodecanoyl(methyl)amino]acetate
- English name
- ethyl N-methyl-N-(1-oxododecyl)aminoacetate
- Molecular formula
- C17H33NO3
- Molecular weight
- 299.45
Names & synonyms
13005-52-2Ethyl N-methyl-N-(1-oxododecyl)aminoacetateethyl 2-[dodecanoyl(methyl)amino]acetateETHYL 2-(N-METHYLDODECANAMIDO)ACETATEethyl n-dodecanoyl-n-methylglycinateEINECS 235-846-1H75HZ8P3GPSCHEMBL15809724DTXSID50156324SYMLPHXUMNTFCM-UHFFFAOYSA-NAKOS014762781Ethyl N-methyl-N-(1-oxodecyl)aminoacetate
Show more names
N-Methyl-N-dodecanoylglycine ethyl esterN-Dodecanoyl-N-methylglycine ethyl esterGlycine, N-Methyl-N-(1-oxododecyl)-, ethyl ester
NS00024085
Database identifiers
- CAS
13005-52-2- PubChem CID
- 83038
- DTXSID
DTXSID50156324- UNII
- H75HZ8P3GP
- EC Number
- 235-846-1
- Nikkaji
- J317.764E
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 399.2 · 399.2±25.0 °C(Predicted)
- Density
- 0.944 · 0.944±0.06 g/cm3(Predicted)
- pka
- -0.81 · -0.81±0.70(Predicted)
Chemistry & industry
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…