quinolin-6-amine

• ChemBase ID: 29826
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: n1cccc2cc(ccc12)N
• Canonical SMILES: Nc1ccc2c(c1)cccn2
• InChI: InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2
• InChIKey: RJSRSRITMWVIQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-6-amine
• IUPAC Traditional name: 6-aminoquinoline
• Synonyms: 6-Aminoquinoline; 6-Quinolinamine; 6-Aminoquinoline; Quinolin-6-amine; 6-Aminoquinoline 98%; quinolin-6-amine; 6-喹啉胺; 6-氨基喹啉

Database IDs

• CAS Number: 580-15-4
• EC Number: 209-453-0
• MDL Number: MFCD00006803
• Beilstein Number: 113320
• PubChem SID: 24846054; 24856657; 160993133
• PubChem CID: 11373

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 1.1485997
• LogD (pH = 7.4): 1.2996222
• Log P: 1.3019745
• Molar Refractivity: 44.6797 cm^3
• Polarizability: 18.162548 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C; 115-119 °C; 115-119 °C(lit.); 115-119°C; 115-119°C
• Boiling Point: 146 °C/0.3 mmHg(lit.); 146°C/0.3mm; 146°C/0.3mm
• Hydrophobicity(logP): 1.477

Safety Information

• Storage Warning: Air Sensitive; Irritant; IRRITANT, AIR SENSITIVE
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 36/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H315-H319
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥96.0% (NT); 95%; 98%; TECH
• Grade: purum
• Empirical Formula (Hill Notation): C9H8N2

DETAILS

Sigma Aldrich - 275581

Packaging
1, 5 g in glass bottle
Application
Fluorescent derivatizing agent useful in the detection of biochemicals.1,2