2-pentylpyridine

• ChemBase ID: 84923
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: n1c(cccc1)CCCCC
• Canonical SMILES: CCCCCc1ccccn1
• InChI: InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3
• InChIKey: HSDXVAOHEOSTFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-pentylpyridine
• IUPAC Traditional name: 2-pentylpyridine
• Synonyms: 2-n-Amylpyridine; 1-(2-Pyridyl)pentane; 2-n-Pentylpyridine; 2-pentylpyridine; 2-Amyl pyridine; 2-Pentylpyridine; 2-正戊基吡啶; 2-正戊基吡啶; 2-戊基吡啶

Database IDs

• CAS Number: 2294-76-0
• EC Number: 218-937-0
• MDL Number: MFCD00051828
• Beilstein Number: 2772
• PubChem SID: 24901680; 162072039
• PubChem CID: 16800
• FEMA ID: 3383
• Council of Europe Number: 11412
• Flavis Number: 14.06

CALCULATED PROPERTIES

• Log P: 2.9211855
• Molar Refractivity: 46.9225 cm^3
• Polarizability: 18.595661 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5882766
• LogD (pH = 7.4): 2.91466

PROPERTIES

Physical Property

• Boiling Point: 102-107 °C(lit.); 102-107°C; 203-204°C
• Flash Point: 174.2 °F; 79 °C; 79°C; 79°C(174°F)
• Density: 0.897; 0.897 g/mL at 25 °C(lit.); 0.903
• Refractive Index: 1.4890; n20/D 1.488(lit.)
• Organoleptic: melon; green; vegetable

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• 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: ≥97%; 95+%; 98%; 99%
• Empirical Formula (Hill Notation): C10H15N
• Classification: Derivatives & analogs of Natural Compounds

DETAILS

Sigma Aldrich - W338303

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
25 g in poly bottle