4-[2-(1-Piperidinyl)ethyl]pyridine
Basic information
- CAS
13450-67-4- Standard SMILES
c1cc(CCN2CCCCC2)ccn1- InChIKey
ICBUOQBBEUSCAJ-UHFFFAOYSA-N- Molecular formula
- C12H18N2
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.14699858
Names & identifiers
- Preferred name
- 4-[2-(1-Piperidinyl)ethyl]pyridine
- IUPAC
- 4-(2-piperidin-1-ylethyl)pyridine
- English name
- 4-(2-Piperidinoethyl) pyridine
- Molecular formula
- C12H18N2
- Molecular weight
- 190.28
Names & synonyms
13450-67-4Pyridine, 4-[2-(1-piperidinyl)ethyl]-EINECS 236-607-44-(beta-Piperidinoethyl)pyridineNW5CQ5VPL0Pyridine, 4-(2-(1-piperidinyl)ethyl)-NSC 163398NSC-163398BRN 0144829Pyridine, 4-(2-piperidinoethyl)-UNII-NW5CQ5VPL04-(2-(1-Piperidinyl)ethyl)pyridine
Show more names
4-(2-piperidinoethyl)-pyridin4-(2-Piperidinoethyl) pyridine4-[2-(piperidyl)ethyl]pyridine4-(2-(Piperidin-1-yl)ethyl)pyridine
DTXSID70654655-22-09-00397 (Beilstein Handbook Reference)PIPERIDINE, 1-(2-(4-PYRIDYL)ETHYL)-4-[2-(1-piperidinyl)ethyl]pyridineRefChem:97002DTXCID5034220236-607-44-(2-piperidin-1-ylethyl)pyridine
Database identifiers
- CAS
13450-67-4- PubChem CID
- 83476
- DTXSID
DTXSID7065465- ChEMBL
CHEMBL1447143- UNII
- NW5CQ5VPL0
- EC Number
- 236-607-4
- Nikkaji
- J85.716E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 16.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 101 °C · 101 °C(Press: 0.5 Torr)
- Density
- 1.006 · 1.006±0.06 g/cm3(Predicted)
- pka
- 8.92 · 8.92±0.10(Predicted)
- FDA UNII
- 5 CQ5VPL0 · NW5CQ5VPL0
- EPA Substance Registry System
- 4 · Pyridine, 4-[2-(1-piperidinyl)ethyl]- (13450-67-4)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H318-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
- RTECS
- 7362000 · UT7362000
- TSCA
- TSCA listed
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- UT7362000
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H318-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridine, 4-[2-(1-piperidinyl)ethyl]-: INACTIVE
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Compound notes
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