3-methylpyridin-2-amine

• ChemBase ID: 68600
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: c1(c(cccn1)C)N
• Canonical SMILES: Cc1cccnc1N
• InChI: InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)
• InChIKey: RGDQRXPEZUNWHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpyridin-2-amine
• IUPAC Traditional name: 2-pyridinamine, 3-methyl-
• Synonyms: 2-Amino-3-Methyl Pyridine; 3-Methyl-2-pyridinamine; 2-Amino-3-methylpyridine; 2-Amino-3-methylpyridine; 3-methylpyridin-2-amine; 2-Amino-3-methylpyridine; 2-Amino-3-picoline; 2-Amino-3-picoline; 3-甲基-2-氨基吡啶; 2-氨基-3-甲基吡啶

Database IDs

• CAS Number: 1603-40-3
• EC Number: 216-501-4
• MDL Number: MFCD00006320
• Beilstein Number: 107892
• PubChem SID: 162034330; 24891251
• PubChem CID: 15347

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2909684
• LogD (pH = 7.4): 0.7896611
• Log P: 1.0345263
• Molar Refractivity: 33.9562 cm^3
• Polarizability: 12.334241 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 29-31 °C; 29-31 °C(lit.); 29-31°C; 29-32°C
• Boiling Point: 221-222 °C(lit.); 221-222°C; 221-222°C
• Flash Point: 118 °C; 118°C(244°F); 244.4 °F
• Density: 1.073; 1.073 g/mL at 25 °C(lit.)
• Refractive Index: 1.5825; n20/D 1.5823(lit.)

Safety Information

• Storage Warning: Hygroscopic; IRRITANT
• RTECS: US1850000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; II
• Risk Statements: 23/24/25-33; 24/25-36/37/38; R:25
• Safety Statements: 26-36/37-45; 36/37/39-45; S:28-29-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H310-H315-H319-H335; H301-H311-H331-H373
• GHS Precautionary statements: P261-P280-P301 + P310-P311; P280H-P305+P351+P338-P307+P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥97.0% (GC); 95%; 95+%; 97%
• Grade: purum
• Empirical Formula (Hill Notation): C6H8N2

DETAILS

MP Biomedicals - 05208064

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A75633

Packaging
100, 500 g in glass bottle