Basic information
- CAS
70437-05-7- Standard SMILES
OCC#Cc1cnc2ccccc2c1- InChIKey
BATAIOGYFWEXQV-UHFFFAOYSA-N- Molecular formula
- C12H9NO
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.06841391
Names & identifiers
- Preferred name
- 3-Quinolin-3-ylprop-2-yn-1-ol
- IUPAC
- 3-quinolin-3-ylprop-2-yn-1-ol
- English name
- 2-Propyn-1-ol, 3-(3-quinolinyl)-
- Molecular formula
- C12H9NO
- Molecular weight
- 183.21
Names & synonyms
70437-05-73-quinolin-3-ylprop-2-yn-1-olDTXSID10349497RefChem:282481DTXCID503005673-(Quinolin-3-yl)prop-2-yn-1-ol3-(3-quinolyl)prop-2-yn-1-ol3-(3-quinolinyl)-2-propyn-1-olMFCD02737713MLS0000297963-Quinolin-3-yl-prop-2-yn-1-olOprea1_286776
Show more names
CETH-0322-Propyn-1-ol, 3-(3-quinolinyl)-
SCHEMBL372200CHEMBL1587768BATAIOGYFWEXQV-UHFFFAOYSA-N3-(3-quinolyl)-2-propyn-1-olHMS1674L13HMS2178C07SBB090048STL513415
Database identifiers
- CAS
70437-05-7- PubChem CID
- 650142
- DTXSID
DTXSID10349497- ChEMBL
CHEMBL1587768- Nikkaji
- J2.356.541B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 121 · 121-123 °C(Solv: chloroform (67-66-3))
- Boiling point
- 370 · 370.0±22.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 13.08 · 13.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
Related reactions
28 records
Compound notes
Loading…