Basic information
- CAS
19735-13-8- Standard SMILES
CC1(c2ccccc2)CCCNC1- InChIKey
JMPNCLOLPRVYKK-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.13609955
Names & identifiers
- Preferred name
- 3-Methyl-3-phenylpiperidine
- IUPAC
- 3-methyl-3-phenylpiperidine
- English name
- 3-methyl-3-phenylpiperidine
- Molecular formula
- C12H17N
- Molecular weight
- 175.27
Names & synonyms
3-Methyl-3-phenylpiperidine19735-13-8EINECS 243-260-2DTXSID10941495RefChem:94759DTXCID301369925243-260-2Piperidine, 3-methyl-3-phenyl-SCHEMBL3438951SCHEMBL5120862UAA73513AKOS013302779
Show more names
JMPNCLOLPRVYKK-UHFFFAOYSA-N
DA-08597CS-0261031NS00048265EN300-76754Z1190324159
Database identifiers
- CAS
19735-13-8- PubChem CID
- 89208
- DTXSID
DTXSID10941495- EC Number
- 243-260-2
- Nikkaji
- J225.259G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 266.8 · 266.8±19.0 °C(Predicted)
- Density
- 0.946 · 0.946±0.06 g/cm3(Predicted)
- pka
- 10.05 · 10.05±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
1 records
Compound notes
Loading…