4-(3,4-Dimethoxyphenyl)piperidine
Basic information
- CAS
42434-76-4- Standard SMILES
COc1ccc(C2CCNCC2)cc1OC- InChIKey
JLSDYCZGSJHQSV-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- 4-(3,4-Dimethoxyphenyl)piperidine
- IUPAC
- 4-(3,4-dimethoxyphenyl)piperidine
- English name
- 4-(3,4-Dimethoxyphenyl)piperidine
- Molecular formula
- C13H19NO2
- Molecular weight
- 221.3
Names & synonyms
4-(3,4-Dimethoxyphenyl)piperidine42434-76-4DTXSID70337996RefChem:287482DTXCID30289083SCHEMBL2473309SCHEMBL55419134-(3,4-Dimethoxyphenyl)piperidine #AKOS000209296Hexahydropyridine, 4-[4,5-dimethoxyphenyl]-EN300-1171681Piperidine, 4-(3,4-diMethoxyphenyl)-
Database identifiers
- CAS
42434-76-4- PubChem CID
- 545828
- DTXSID
DTXSID70337996- EC Number
- 161-763-4
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 327.7 · 327.7±42.0 °C(Predicted)
- Density
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- pka
- 10.15 · 10.15±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
14 records
Compound notes
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