CAS 4939-28-0 (2-Methylquinolin-4-yl)methanol (HCID 10149033)

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Basic information

CAS: 4939-28-0
Standard SMILES: Cc1cc(CO)c2ccccc2n1
InChIKey: MNDWQNXETQDJMZ-UHFFFAOYSA-N
Molecular formula: C11H11NO
Average molar mass: 173.21 g/mol
Monoisotopic mass: 173.08406397

Names & identifiers

Preferred name: (2-Methylquinolin-4-yl)methanol
IUPAC: (2-methylquinolin-4-yl)methanol
English name: (2-Methyl-quinolin-4-yl)-methanol
Molecular formula: C11H11NO
Molecular weight: 173.21

Names & synonyms

(2-methylquinolin-4-yl)methanol4939-28-0DTXSID00436148RefChem:206220DTXCID60386973967-691-7(2-METHYL-QUINOLIN-4-YL)-METHANOLMFCD07371472(2-methyl-4-quinolyl)methanol2-Methylquinoline-4-methanol(2-methyl-4-quinolinyl)methanol2-methyl-4-hydroxymethylquinoline

Show more names

2-Methyl-4-quinolinemethanol4-Quinolinemethanol, 2-methyl-1-(2-Methylquinolin-4-yl)methanol(2-Methylquinolin-4-yl)methanol - [M89007](1-methylindol-2-yl)-[2-(3-pyridyl)-1,3-dithian-2-yl]methanol(1-methylindol-2-yl)-(2-pyridin-3-yl-1,3-dithian-2-yl)methanol

A1BC32-methylquinolin-4-ylmethanolSCHEMBL1366357SCHEMBL39649162-methyl4-hydroxymethylquinolineMNDWQNXETQDJMZ-UHFFFAOYSA-N(2-Methyl-quinolin-4-yl)methanol4-hydroxymethyl-2-methyl quinoline

Database identifiers

CAS: 4939-28-0
PubChem CID: 10149033
DTXSID: DTXSID00436148
EC Number: 967-691-7
Nikkaji: J3.707.770D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 171

Physicochemical properties

Melting point: 148 °C · 148 °C
Boiling point: 337.3 · 337.3±27.0 °C(Predicted)
Density: 1.179 · 1.179±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 13.46 · 13.46±0.10(Predicted)
Appearance: White to yellow Solid
HS Code: 2933499090 · 2933499090

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.