4-methylquinoline

• ChemBase ID: 70250
• Molecular Formular: C10H9N
• Molecular Mass: 143.18516
• Monoisotopic Mass: 143.07349929
• SMILES: n1ccc(C)c2ccccc12
• Canonical SMILES: Cc1ccnc2c1cccc2
• InChI: InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3
• InChIKey: MUDSDYNRBDKLGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylquinoline
• IUPAC Traditional name: 4-methylquinoline
• Synonyms: Lepidine; Lepidine; 4-Methylquinoline; Lepidine; 4-Methylquinoline; 4-Methylquinoline; 勒皮啶; 4-甲基喹啉; 勒皮啶; 4-甲基喹啉

Database IDs

• CAS Number: 491-35-0
• EC Number: 207-734-2
• MDL Number: MFCD00006784
• Beilstein Number: 110926
• Merck Index: 145441
• PubChem SID: 24849728; 24902071; 162035973
• PubChem CID: 10285
• CHEBI ID: 48983
• CHEMBL: 9734
• Chemspider ID: 13854818
• Unique Ingredient Identifier: 116169T3O8
• Wikipedia Title: Lepidine
• Council of Europe Number: 488
• Flavis Number: 14.002

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4489071
• LogD (pH = 7.4): 2.6411412
• Log P: 2.644322
• Molar Refractivity: 45.0205 cm^3
• Polarizability: 18.841845 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless or yellow liquid
• Melting Point: 9–10 °C; 9-10 °C(lit.); 9-10°C; 9-10°C
• Boiling Point: 260-263°C; 261–263 °C; 261-263 °C(lit.); 261-263°C
• Flash Point: >110°C; >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.083; 1.083 g/ml; 1.083 g/mL at 25 °C(lit.)
• Refractive Index: 1.6200; n20/D 1.620(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive; Light Sensitive
• RTECS: OH0316000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38-68
• Safety Statements: 23-26-36/37; 26-36
• TSCA Listed: false; 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H341-H315-H319
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥99%; 95+%; 98%; 99%
• Empirical Formula (Hill Notation): C10H9N

DETAILS

MP Biomedicals - 05202724

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 158283

Packaging
25, 100 g in glass bottle

Sigma Aldrich - W513903

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
5 kg in steel drum

REFERENCES

• Lepidine and similar compounds can be alkylated at the 2-position by free radicals generated by the action of t-butyl hydroperoxide and a salt of Fe(II) on a primary or secondary alkyl iodide: Acta Chem. Scand., 43, 995 (1989). Similarly, 2-formylation can be achieved in high yield using 1,3,5-trioxane in the presence of TFA, t-BuOOH and FeSO₄ in acetonitrile: J. Org. Chem., 51, 536 (1986).