CAS 13669-51-7 (Quinolin-3-yl)methanol (HCID 12662983)

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Basic information

CAS: 13669-51-7
Standard SMILES: OCc1cnc2ccccc2c1
InChIKey: FLGKQMOTLCGOQH-UHFFFAOYSA-N
Molecular formula: C10H9NO
Average molar mass: 159.18 g/mol
Monoisotopic mass: 159.06841391

Names & identifiers

Preferred name: (Quinolin-3-yl)methanol
IUPAC: quinolin-3-ylmethanol
English name: Quinolin-3-yl-methanol
Molecular formula: C10H9NO
Molecular weight: 159.18

Names & synonyms

13669-51-7(QUINOLIN-3-YL)METHANOLDTXSID70506084RefChem:210784DTXCID70456893855-748-8quinolin-3-ylmethanol3-QuinolinemethanolQuinolin-3-yl-Methanol3-QUINOLYLMETHANOLMFCD034125523-QUINOLINYLMETHANOL

Show more names

3-(HYDROXYMETHYL)QUINOLINE3-quinolylmethan-1-ol3-quinolylcarbinol3-hydroxymethylquinoline(quinoline-3-yl)methanolQuinolin-3-ylmethanol, 97%SCHEMBL701411SCHEMBL5553209

Database identifiers

CAS: 13669-51-7
PubChem CID: 12662983
DTXSID: DTXSID70506084
EC Number: 855-748-8
Nikkaji: J1.417.427C

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 149

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Boiling point: 329.8 · 329.8±17.0 °C(Predicted)
Density: 1.218 · 1.218±0.06 g/cm3(Predicted)
Melting point: 65 · 65-67 °C
pka: 13.68 · 13.68±0.10(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.