Basic information
- CAS
52811-70-8- Standard SMILES
CCC(=O)NC(CCSC)C(=O)O- InChIKey
RBAAEQRITQHPJM-UHFFFAOYSA-N- Molecular formula
- C8H15NO3S
- Average molar mass
- 205.28 g/mol
Names & identifiers
- Preferred name
- N-(1-oxopropyl)-DL-methionine
- IUPAC
- 4-methylsulfanyl-2-(propanoylamino)butanoic acid
- English name
- N-(1-oxopropyl)-DL-methionine
- Molecular formula
- C8H15NO3S
- Molecular weight
- 205.28
Names & synonyms
N-(1-Oxopropyl)-DL-methionineEINECS 258-197-6DL-Methionine, N-(1-oxopropyl)-RefChem:823658258-197-64-(methylsulfanyl)-2-propanamidobutanoic acid52811-70-84-methylsulfanyl-2-(propanoylamino)butanoic acidSCHEMBL302957DTXSID60967281RBAAEQRITQHPJM-UHFFFAOYSA-NN-(1-Hydroxypropylidene)methionine
Show more names
N-Propionyl-DL-methionineMethionine, N-(1-oxopropyl)-(±)-N-(1-Oxopropyl)-methionine
AKOS000126772AKOS017271694DB-2308714-(methylsulfanyl)-2-propanamidobutanoicacidCS-0250139EN300-49892Z85883170
Database identifiers
- CAS
52811-70-8- PubChem CID
- 103692
- DTXSID
DTXSID60967281- EC Number
- 258-197-6
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 455.606 · 455.606±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.511 · 3.511±0.10(predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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