2-propylpyridine

• ChemBase ID: 104563
• Molecular Formular: C8H11N
• Molecular Mass: 121.17964
• Monoisotopic Mass: 121.08914936
• SMILES: CCCc1ccccn1
• Canonical SMILES: CCCc1ccccn1
• InChI: InChI=1S/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3
• InChIKey: OIALIKXMLIAOSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propylpyridine
• IUPAC Traditional name: propazin
• Synonyms: Conyrine; 2-Propylpyridine; 2-PROPYLPYRIDINE; 毒芹分碱; 2-丙基吡啶

Database IDs

• CAS Number: 622-39-9
• EC Number: 210-732-4
• MDL Number: MFCD00006368
• PubChem SID: 162092772
• PubChem CID: 69320
• FEMA ID: 4065
• Flavis Number: 14.164

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6974261
• LogD (pH = 7.4): 2.0254726
• Log P: 2.032048
• Molar Refractivity: 37.7205 cm^3
• Polarizability: 14.901955 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 169-171 °C
• Flash Point: 132.8 °F; 56 °C
• Density: 0.91 g/ml; 0.912 g/mL at 25 °C
• Refractive Index: n20/D 1.493
• Hydrophobicity(logP): 2.202
• Organoleptic: green; minty; floral

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥97%; 95%; 99%
• Empirical Formula (Hill Notation): C8H11N

DETAILS

MP Biomedicals - 02156419

Yellow liquid
1 ml = approx. 0.91 g

Sigma Aldrich - W406503

Packaging
1 sample in glass bottle
50 g in glass bottle