2-pentylpyrazine

• ChemBase ID: 176352
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1ccncc1CCCCC
• Canonical SMILES: CCCCCc1cnccn1
• InChI: InChI=1S/C9H14N2/c1-2-3-4-5-9-8-10-6-7-11-9/h6-8H,2-5H2,1H3
• InChIKey: KNDDHUQSPNJCKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-pentylpyrazine
• IUPAC Traditional name: 2-pentylpyrazine
• Synonyms: 2-Pentylpyrazine; (1-Pentyl)pyrazine; Amylpyrazine; NSC 42876; Pentylpyrazine; n-Amylpyrazine; 1-Pyrazinylpentane; 2-n-Pentylpyrazine; 2-正戊基吡嗪

Database IDs

• CAS Number: 6303-75-9
• EC Number: 228-604-1
• MDL Number: MFCD00014614
• Beilstein Number: 508952
• PubChem SID: 164232262
• PubChem CID: 80551

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7034904
• LogD (pH = 7.4): 1.7035127
• Log P: 1.703513
• Molar Refractivity: 44.7656 cm^3
• Polarizability: 17.67068 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Yellowish Oil
• Boiling Point: 218°C
• Flash Point: 81°C(178°F)
• Density: 0.95
• Refractive Index: 1.4900

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H227
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 97%