Basic information
- CAS
92671-73-3- Standard SMILES
CCCCC(CCCC)(C(N)=O)C(=O)OCC- InChIKey
FMILPAHYEMMAEG-UHFFFAOYSA-N- Molecular formula
- C13H25NO3
- Average molar mass
- 243.34 g/mol
- Monoisotopic mass
- 243.18344366
Names & identifiers
- Preferred name
- Ethyl 2-butyl-2-carbamoyl-hexanoate
- IUPAC
- ethyl 2-butyl-2-carbamoylhexanoate
- English name
- FMILPAHYEMMAEG-UHFFFAOYSA-N
- Molecular formula
- C13H25NO3
- Molecular weight
- 243.3425
Names & synonyms
92671-73-3ETHYL 2-BUTYL-2-CARBAMOYL-HEXANOATEDTXSID10304566RefChem:342700DTXCID40255698ethyl 2-butyl-2-carbamoylhexanoateNSC166297AKOS024332583NSC-166297FMILPAHYEMMAEG-UHFFFAOYSA-N
Database identifiers
- CAS
92671-73-3- PubChem CID
- 296289
- DTXSID
DTXSID10304566- EC Number
- 105-389-1
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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