quinolin-8-amine

• ChemBase ID: 10018
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: Nc1c2c(ccc1)cccn2
• Canonical SMILES: Nc1cccc2c1nccc2
• InChI: InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2
• InChIKey: WREVVZMUNPAPOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-8-amine
• IUPAC Traditional name: 8-aminoquinoline
• Synonyms: 8-Aminoquinoline; Quinolin-8-amine; 8-Quinolinamine; 8-Aminoquinoline; quinolin-8-amine; 8-喹啉胺; 8-氨基喹啉

Database IDs

• CAS Number: 578-66-5
• EC Number: 209-427-9
• MDL Number: MFCD00006809
• Beilstein Number: 114474
• PubChem SID: 24855768; 160973325
• PubChem CID: 11359

CALCULATED PROPERTIES

• Acid pKa: 19.945225
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2826123
• LogD (pH = 7.4): 1.3017248
• Log P: 1.3019745
• Molar Refractivity: 44.6797 cm^3
• Polarizability: 18.166979 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-65 °C(lit.); 63-67°C; 64 - 66°C; 65-68°C; 66-68°C
• Boiling Point: 174 °C/26 mmHg(lit.); 174°C/26mm; 174°C/26mm
• Hydrophobicity(logP): 1.477

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant/Air Sensitive/Store under Argon
• RTECS: VA9627000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-68; 36/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H341-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 98%; 98+%
• Empirical Formula (Hill Notation): C9H8N2

DETAILS

Sigma Aldrich - 260789

Packaging
5, 25 g in glass bottle