1-Benzyl-4-(methylamino)piperidine-4-carbonitrile
Basic information
- CAS
953-79-7- Standard SMILES
CNC1(C#N)CCN(Cc2ccccc2)CC1- InChIKey
NVTHHBZDNKNEDB-UHFFFAOYSA-N- Molecular formula
- C14H19N3
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.15789762
Names & identifiers
- Preferred name
- 1-Benzyl-4-(methylamino)piperidine-4-carbonitrile
- IUPAC
- 1-benzyl-4-(methylamino)piperidine-4-carbonitrile
- English name
- 1-benzyl-4-(methylamino)piperidine-4-carbonitrile
- Molecular formula
- C14H19N3
- Molecular weight
- 229.32
Names & synonyms
953-79-71-Benzyl-4-(methylamino)-4-piperidinecarbonitrile1-Benzyl-4-(methylamino)piperidine-4-carbonitrileKXU2Q4VJ8TEINECS 213-467-2NSC-72993DTXSID50241805NSC 729934-Piperidinecarbonitrile, 4-(methylamino)-1-(phenylmethyl)-4-(METHYLAMINO)-1-(PHENYLMETHYL)-4-PIPERIDINECARBONITRILERefChem:74997DTXCID40164296
Show more names
213-467-2MFCD00023748NSC664997NSC72993UNII-KXU2Q4VJ8T1-Benzyl-4-Cyano-4-(Methylamino)-PiperidineSCHEMBL5242605NVTHHBZDNKNEDB-UHFFFAOYSA-N
Database identifiers
- CAS
953-79-7- PubChem CID
- 70378
- DTXSID
DTXSID50241805- UNII
- KXU2Q4VJ8T
- EC Number
- 213-467-2
- Nikkaji
- J298.560H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 61.2 · 61.2-62 °C
- Boiling point
- 365.4 · 365.4±42.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 6.23 · 6.23±0.10(Predicted)
- FDA UNII
- 2 Q4VJ8T · KXU2Q4VJ8T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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