Basic information
- CAS
879398-98-8- Standard SMILES
CCCCCCCCCCCCCC(=O)NCCC(=O)OC- InChIKey
RIHVKOIRUPGGDH-UHFFFAOYSA-N- Molecular formula
- C18H35NO3
- Average molar mass
- 313.5 g/mol
- Monoisotopic mass
- 313.26169398
Names & identifiers
- Preferred name
- Methyl 3-tetradecanamidopropanoate
- IUPAC
- methyl 3-(tetradecanoylamino)propanoate
Names & synonyms
methyl 3-tetradecanamidopropanoate879398-98-8RefChem:815643870-094-3SCHEMBL2014687EN300-28254375
Database identifiers
- CAS
879398-98-8- PubChem CID
- 44548744
- EC Number
- 870-094-3
- Nikkaji
- J2.294.694C
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 280
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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