1,5-naphthyridine

• ChemBase ID: 69176
• Molecular Formular: C8H6N2
• Molecular Mass: 130.14664
• Monoisotopic Mass: 130.0530982
• SMILES: n1cccc2ncccc12
• Canonical SMILES: c1cnc2c(c1)nccc2
• InChI: InChI=1S/C8H6N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1-6H
• InChIKey: VMLKTERJLVWEJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-naphthyridine
• IUPAC Traditional name: 1,5-naphthyridine
• Synonyms: 1,5-Naphthyridine; 1,5-Naphthyridine; 1,5-萘啶

Database IDs

• CAS Number: 254-79-5
• MDL Number: MFCD00039727
• PubChem SID: 162034905
• PubChem CID: 136070

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2989477
• LogD (pH = 7.4): 1.2990767
• Log P: 1.2990783
• Molar Refractivity: 37.4504 cm^3
• Polarizability: 16.112118 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 74°C; 69-75 °C
• Hydrophobicity(logP): 1.147

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-39
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%; 95+%; 96%; 97%

DETAILS

Sigma Aldrich - 673218

包装
1 g in glass bottle
Legal Information
经 Kanata Chemical Technologies Inc. 授权销售，仅供研究之用。