Basic information
- CAS
21394-52-5- Standard SMILES
CCCCCC(=O)NC(CCSC)C(=O)O- InChIKey
WUVVOUFAPBDGTP-UHFFFAOYSA-N- Molecular formula
- C11H21NO3S
- Average molar mass
- 247.36 g/mol
Names & identifiers
- Preferred name
- N-(1-Oxohexyl)-DL-methionine
- IUPAC
- 2-(hexanoylamino)-4-methylsulfanylbutanoic acid
- English name
- N-(1-oxohexyl)-DL-methionine
- Molecular formula
- C11H21NO3S
- Molecular weight
- 247.36
Names & synonyms
21394-52-5N-(1-Oxohexyl)-DL-methionineEINECS 244-361-4SCHEMBL6136379DTXSID40943942N-(1-Hydroxyhexylidene)methionineWUVVOUFAPBDGTP-UHFFFAOYSA-NAKOS009109156Methionine, N-(1-oxohexyl)-
Database identifiers
- CAS
21394-52-5- PubChem CID
- 89493
- DTXSID
DTXSID40943942- EC Number
- 244-361-4
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 473.598 · 473.598±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.099 · 1.099±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.511 · 3.511±0.10(predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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