6-methoxypyridin-3-amine

• ChemBase ID: 11800
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(cnc(cc1)OC)N
• Canonical SMILES: COc1ccc(cn1)N
• InChI: InChI=1S/C6H8N2O/c1-9-6-3-2-5(7)4-8-6/h2-4H,7H2,1H3
• InChIKey: UUVDJIWRSIJEBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxypyridin-3-amine
• IUPAC Traditional name: 6-methoxy-pyridin-3-ylamine; 5-amino-2-methoxypyridine
• Synonyms: 5-Amino-2-methoxypyridine; 6-methoxypyridin-3-amine; 5-Amino-2-methoxypyridine; 6-Methoxypyridin-3-amine; 6-Methoxy-3-pyridinamine; 5-氨基-2-甲氧基吡啶

Database IDs

• CAS Number: 6628-77-9; 6228-77-9
• EC Number: 229-612-8
• MDL Number: MFCD00006264
• PubChem SID: 160975107; 24891055
• PubChem CID: 81121

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.36017084
• LogD (pH = 7.4): 0.36339247
• Log P: 0.3634337
• Molar Refractivity: 35.3782 cm^3
• Polarizability: 13.093978 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 29 - 31°C; 29-31 °C(lit.); 29-31°C; 29-31°C
• Boiling Point: 85-90 °C/1 mmHg(lit.); 85-90°C/1mm; 85-90°C/1mm
• Flash Point: >110°C; >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.575
• Refractive Index: 1.5735; n20/D 1.575(lit.)
• Hydrophobicity(logP): 1.162

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• RTECS: US1836000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37; 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C6H8N2O

DETAILS

MP Biomedicals - 05203568

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A61209

Packaging
5, 25 g in glass bottle