Basic information
- CAS
946787-39-9- Standard SMILES
Cc1cc(OCC2CCCNC2)cc(C)c1Cl- InChIKey
DPVFPTSVZDUJOZ-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO
- Average molar mass
- 253.77 g/mol
- Monoisotopic mass
- 253.123342
Names & identifiers
- Preferred name
- 3-[(4-Chloro-3,5-dimethylphenoxy)methyl]piperidine
- IUPAC
- 3-[(4-chloro-3,5-dimethylphenoxy)methyl]piperidine
- English name
- 3-[(4-CHLORO-3,5-DIMETHYLPHENOXY)METHYL]PIPERIDINE
- Molecular formula
- C14H20ClNO
- Molecular weight
- 253.77
Names & synonyms
3-[(4-Chloro-3,5-dimethylphenoxy)methyl]piperidine946787-39-9Piperidine, 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-DTXSID401228184AKOS010943896
Database identifiers
- CAS
946787-39-9- PubChem CID
- 45075331
- DTXSID
DTXSID401228184
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 369.4 · 369.4±37.0 °C(Predicted)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- pka
- 9.92 · 9.92±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
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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