beta-Methylenepyridine-2-ethanol
Basic information
- CAS
58379-60-5- Standard SMILES
C=C(CO)c1ccccn1- InChIKey
YMJQERFTJRYEGU-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Names & identifiers
- Preferred name
- beta-Methylenepyridine-2-ethanol
- IUPAC
- 2-pyridin-2-ylprop-2-en-1-ol
- English name
- beta-methylenepyridine-2-ethanol
- Molecular formula
- C8H9NO
- Molecular weight
- 135.16
Names & synonyms
58379-60-5beta-Methylenepyridine-2-ethanol2-(pyridin-2-yl)prop-2-en-1-ol2-pyridin-2-ylprop-2-en-1-olEINECS 261-231-2starbld0045496FD5G2HE58Nbeta-Methylene-2-pyridineethanolSCHEMBL29128035SCHEMBL31366857DTXSID602070932-(2-pyridyl)prop-2-en-1-ol
Show more names
Farnesane Impurity 27Betahistine Impurity 14Beta-methylpyridine-2-ethanol2-(2-Pyridinyl)-2-propen-1-ol2-Pyridineethanol, β-methylene-Betahistine Impurity 4/2-Pyridin-2-yl-prop-2-en-1-ol
2-Pyridineethanol, beta-methylene-DB-264511NS00033919F180101
Database identifiers
- CAS
58379-60-5- PubChem CID
- 94036
- DTXSID
DTXSID60207093- UNII
- FD5G2HE58N
- EC Number
- 261-231-2
- Nikkaji
- J28.231F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 120 °C · 120 °C(Press: 0.5 Torr)
- Density
- 1.072 · 1.072±0.06 g/cm3(Predicted)
- pka
- 14.3 · 14.30±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-P305+P351+P338
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
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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