1-Methyl-3-phenylpiperidine
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Basic information
- CAS
19509-11-6- Standard SMILES
CN1CCCC(c2ccccc2)C1- InChIKey
AVIAGAGHRPKXCE-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.13609955
Names & identifiers
- Preferred name
- 1-Methyl-3-phenylpiperidine
- IUPAC
- 1-methyl-3-phenylpiperidine
- English name
- 1-METHYL-3-PHENYLPIPERAZINE
- Molecular formula
- C12H17N
- Molecular weight
- 175.27
Names & synonyms
1-Methyl-3-phenylpiperidine19509-11-6EINECS 243-119-5DTXSID50941272RefChem:76281DTXCID701369715243-119-5Piperidine,1-methyl-3-phenyl-SCHEMBL1972117SCHEMBL2077233SCHEMBL2077235SCHEMBL21590161
Show more names
Mirtazapine intermediateN-METHYL-3-PHENYLPIPERAZINEPiperidine, 1-methyl-3-phenyl-1-N-METHYL-3-PHENYL-PIPERAZINE
AVIAGAGHRPKXCE-UHFFFAOYSA-NNS00047765
Database identifiers
- CAS
19509-11-6- PubChem CID
- 86885
- DTXSID
DTXSID50941272- EC Number
- 243-119-5
- Nikkaji
- J242.838E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 56 · 56-60 °C(lit.)
- Boiling point
- 126 °C · 126 °C(Press: 14 Torr)
- Density
- 0.964 · 0.964±0.06 g/cm3(Predicted)
- pka
- 9.39 · 9.39±0.10(Predicted)
- CAS DataBase Reference
- 19509 · 19509-11-6(CAS DataBase Reference)
- Hazard Codes
- T,Xi
- Risk Statements
- 25 · 25-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2923 · UN 2923 8/PG 3
- WGK Germany
- 3 · 3
- 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
- wgk
- 3
- ridadr
- UN 2923 8/PG 3
- risk_code
- 25-34
- hazard_code
- T,Xi
- safety_code
- 26-36/37/39-45
- hazard_class
- IRRITANT
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Compound notes
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