quinolin-3-amine

• ChemBase ID: 24799
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: n1c2c(cc(c1)N)cccc2
• Canonical SMILES: Nc1cnc2c(c1)cccc2
• InChI: InChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2
• InChIKey: SVNCRRZKBNSMIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-3-amine
• IUPAC Traditional name: 3-aminoquinoline
• Synonyms: Quinolin-3-amine; 3-Aminoquinoline; 3-AQ; 3-Quinolinamine; 3-Aminoquinoline; Quinolin-3-amine; 3-喹啉胺; 3-氨基喹啉

Database IDs

• CAS Number: 580-17-6
• EC Number: 209-455-1
• MDL Number: MFCD00006772
• Beilstein Number: 113317
• PubChem SID: 24853890; 24846052; 24846051; 160988106
• PubChem CID: 11375

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2170014
• LogD (pH = 7.4): 1.3007824
• Log P: 1.3019745
• Molar Refractivity: 44.6797 cm^3
• Polarizability: 18.161407 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: methanol: soluble0.1 g/mL, clear
• Melting Point: 91 - 92°C; 91-92 °C(lit.); 92°C; 92-95 °C; 92-96°C
• Hydrophobicity(logP): 1.702

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant
• RTECS: VA9622000
• European Hazard Symbols: X; Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 36/38; R:22
• Safety Statements: 26-36; 26-36/37; S:36/37/39
• TSCA Listed: false; 是
• 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: ≥98.0% (NT); ≥99.0% (GC); 95%; 98%
• Grade: matrix substance for MALDI-MS; purum
• Cation Traces: Ba: ≤5 mg/kg; Ca: ≤5 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Na: ≤50 mg/kg; Sr: ≤5 mg/kg
• Analyte suitability: glycans
• abs.: λmin/349.5 nm ≥3,000
• Empirical Formula (Hill Notation): C9H8N2

DETAILS

MP Biomedicals - 05209785

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 232289

Packaging
5 g in glass bottle

Sigma Aldrich - 07336

Application
Fluorescently labels glycans containing a free reducing terminus.1 Forms a liquid composite matrix with 4-HCCA and glycerol for analysis of neutral and acidic glycans.2