Basic information
- CAS
946758-43-6- Standard SMILES
CC(C)CCOCC1CCNCC1- InChIKey
MJPNEJZVGNYJSA-UHFFFAOYSA-N- Molecular formula
- C11H23NO
- Average molar mass
- 185.31 g/mol
Names & identifiers
- Preferred name
- 4-[(3-Methylbutoxy)methyl]piperidine
- IUPAC
- 4-(3-methylbutoxymethyl)piperidine
- English name
- 4-[(Isopentyloxy)methyl]piperidine
- Molecular formula
- C11H23NO
- Molecular weight
- 185.31
Names & synonyms
4-[(3-methylbutoxy)methyl]piperidine4-[(Isopentyloxy)methyl]piperidine946758-43-64-((Isopentyloxy)methyl)piperidine4-(3-methylbutoxymethyl)piperidineAKOS000170437CS-0274267EN300-58063Piperidine, 4-[(3-methylbutoxy)methyl]-
Database identifiers
- CAS
946758-43-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 245 · 245.0±13.0 °C(Predicted)
- Density
- 0.87 · 0.870±0.06 g/cm3(Predicted)
- pka
- 10.43 · 10.43±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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