2-[1-(2-Buten-1-yl)-3-penten-1-yl]pyridine
Basic information
- CAS
2057-42-3- Standard SMILES
CC=CCC(CC=CC)c1ccccn1- InChIKey
XFZKOJSWZJWDEK-UHFFFAOYSA-N- Molecular formula
- C14H19N
- Average molar mass
- 201.31 g/mol
- Monoisotopic mass
- 201.15174961
Names & identifiers
- Preferred name
- 2-[1-(2-Buten-1-yl)-3-penten-1-yl]pyridine
- IUPAC
- 2-nona-2,7-dien-5-ylpyridine
- English name
- 2-[1-(but-2-enyl)pent-3-enyl]pyridine
- Molecular formula
- C14H19N
- Molecular weight
- 201.30736
Names & synonyms
2057-42-32-(1-(2-Buten-1-yl)-3-penten-1-yl)pyridine2-[1-(2-Buten-1-yl)-3-penten-1-yl]pyridineRefChem:249675DTXSID3062158XFZKOJSWZJWDEK-UHFFFAOYSA-N2-(nona-2,7-dien-5-yl)pyridineNS000266885-(2-PYRIDYL)2,7-NONADIENE2-[1-(2-Butenyl)-3-pentenyl]pyridine2-[1-(but-2-enyl)pent-3-enyl]pyridinePyridine, 2-[1-(2-buten-1-yl)-3-penten-1-yl]-
Database identifiers
- CAS
2057-42-3- PubChem CID
- 74934
- DTXSID
DTXSID3062158- EC Number
- 218-156-5
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 110 · 110-114 °C(Press: 5 Torr)
- Density
- 0.919 · 0.919±0.06 g/cm3(Predicted)
- pka
- 5.41 · 5.41±0.19(Predicted)
- EPA Substance Registry System
- 2 · 2-[1-(2-Butenyl)-3-pentenyl]pyridine (2057-42-3)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 413 · H413-H319-H301-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
- 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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, 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)
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. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H413-H319-H301-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridine, 2-[1-(2-buten-1-yl)-3-penten-1-yl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…