Basic information
- CAS
13222-32-7- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)N(C)CCC(=O)O- InChIKey
GMHCJCQMNYOULB-UHFFFAOYSA-N- Molecular formula
- C22H43NO3
- Average molar mass
- 369.6 g/mol
- Monoisotopic mass
- 369.32429424
Names & identifiers
- Preferred name
- Stearoyl methyl beta-alanine
- IUPAC
- 3-[methyl(octadecanoyl)amino]propanoic acid
- English name
- N-methyl-N-(1-oxooctadecyl)-beta-alanine
- Molecular formula
- C22H43NO3
- Molecular weight
- 369.58
Names & synonyms
Stearoyl methyl beta-alanineN-Methyl-N-(1-oxooctadecyl)-beta-alanineEINECS 236-194-0UNII-Q22Y197J3VQ22Y197J3VDTXSID70157439STEAROYL METHYL .BETA.-ALANINE.BETA.-ALANINE, N-METHYL-N-STEAROYL-.BETA.-ALANINE, N-METHYL-N-(1-OXOOCTADECYL)-RefChem:185408DTXCID4079930BETA-ALANINE, N-METHYL-N-STEAROYL-
Show more names
N-Methyl-N-stearoyl-β-alanineβ-Alanine, N-methyl-N-(1-oxooctadecyl)-
BETA-ALANINE, N-METHYL-N-(1-OXOOCTADECYL)-13222-32-73-[methyl(octadecanoyl)amino]propanoic acid3-(N-METHYLOCTADECANAMIDO)PROPANOIC ACID3-(N-Methylstearamido)propanoic acidstarbld0002063SCHEMBL4001004GMHCJCQMNYOULB-UHFFFAOYSA-N
Database identifiers
- CAS
13222-32-7- PubChem CID
- 83243
- DTXSID
DTXSID70157439- UNII
- Q22Y197J3V
- EC Number
- 236-194-0
- Nikkaji
- J213.758E
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- FDA UNII
- 22 Y197J3V · Q22Y197J3V
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
南京世洲生物科技有限公司13675144456 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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