quinolin-2-amine

• ChemBase ID: 10649
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: c1ccc2c(c1)ccc(n2)N
• Canonical SMILES: Nc1ccc2c(n1)cccc2
• InChI: InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
• InChIKey: GCMNJUJAKQGROZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-2-amine
• IUPAC Traditional name: 2-aminoquinoline
• Synonyms: 2-Quinolinamine; 2-Aminoquinoline; quinolin-2-amine; Quinolin-2-amine; 2-Aminoquinoline 98%; 2-Aminoquinoline; 2-氨基喹啉

Database IDs

• CAS Number: 580-22-3
• EC Number: 209-458-8
• MDL Number: MFCD00038079
• PubChem SID: 160973956
• PubChem CID: 11379

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.177985
• LogD (pH = 7.4): 1.8724972
• Log P: 1.896432
• Molar Refractivity: 44.9932 cm^3
• Polarizability: 18.160662 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120-122°C; 126-131 °C; 129°C
• Hydrophobicity(logP): 1.702

Safety Information

• Storage Warning: IRRITANT, AIR SENSITIVE, IRRITANT-HARMFUL; Toxic/Store under Argon
• RTECS: VA9621800
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36/39
• 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

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C9H8N2

DETAILS

MP Biomedicals - 05215089

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 718335

Packaging
500 mg in glass bottle