Basic information
- CAS
63587-60-0- Standard SMILES
COc1ccc(CC2CCCCN2)cc1- InChIKey
HECDAPDSJDYLQQ-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- 2-((4-Methoxyphenyl)methyl)piperidine
- IUPAC
- 2-[(4-methoxyphenyl)methyl]piperidine
- English name
- 2-(4-METHOXYBENZYL)PIPERIDINE
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
2-[(4-methoxyphenyl)methyl]piperidine2-((4-Methoxyphenyl)methyl)piperidineRefChem:449273862-941-063587-60-02-(4-methoxybenzyl)piperidine2-(4-methoxy-benzyl)-piperidineMFCD02663573Oprea1_612887SCHEMBL3173440SCHEMBL20109499DTXSID00398237
Show more names
OTAVA-BB 1043219Piperidine, 2-[(4-methoxyphenyl)methyl]-
NCA58760AKOS001475823AB12064DA-04139CS-0234668EN300-145385
Database identifiers
- CAS
63587-60-0- PubChem CID
- 3958671
- DTXSID
DTXSID00398237- EC Number
- 862-941-0
- Nikkaji
- J2.861.258C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 311.4 · 311.4±17.0 °C(Predicted)
- Density
- 1.002 · 1.002±0.06 g/cm3(Predicted)
- pka
- 10.28 · 10.28±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- HS Code
- 2933399990 · 2933399990
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
江苏药泽医药科技有限公司18962082606 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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