4-methylpyridin-2-amine

• ChemBase ID: 68905
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: c1(cc(ccn1)C)N
• Canonical SMILES: Cc1ccnc(c1)N
• InChI: InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
• InChIKey: ORLGLBZRQYOWNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpyridin-2-amine
• IUPAC Traditional name: 2-pyridinamine, 4-methyl-
• Synonyms: 4-Methyl-2-pyridinamine; Aminopicoline; Ascensil; NSC 1490; NSC 176165; NSC 6972; 2-Amino-4-methylpyridine; 2-Amino-4-picoline; 4-methylpyridin-2-amine; 2-Amino-4-methylpyridine; 2-Amino-4-picoline; 2-Amino-4-methylpyridine; 4-甲基-2-氨基吡啶; 2-氨基-4-甲基吡啶

Database IDs

• CAS Number: 695-34-1
• EC Number: 211-780-9
• MDL Number: MFCD00006321
• Beilstein Number: 107066
• Merck Index: 14466
• PubChem SID: 24846207; 162034635; 24847520
• PubChem CID: 1533

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.36774576
• LogD (pH = 7.4): 0.63217837
• Log P: 1.0345263
• Molar Refractivity: 33.9562 cm^3
• Polarizability: 12.332636 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: White Solid
• Melting Point: 96°C; 96-99 °C; 96-99 °C(lit.); 97-101°C; 98-100°C
• Boiling Point: 230 °C(lit.); 230°C/760mm; 231°C
• Flash Point: 118 °C; 118°C; 118°C(244°F); 244.4 °F

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Hygroscopic; IRRITANT; Toxic/Hygroscopic
• RTECS: TJ5150000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; III
• Risk Statements: 21-25-37/38-41; 23/24/25-33
• Safety Statements: 26-36/37/39-45; 36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H335-H318; H301-H311-H331-H373
• GHS Precautionary statements: P261-P280-P301 + P310-P311; P280-P305+P351+P338-P309-P310-P337+P313
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

Pharmacology Properties

• Gene Information: human ... NOS1(4842), NOS2(4843), NOS3(4846)rat ... Nos1(24598)

Product Information

• Purity: ≥98.0% (GC); 95%; 95+%; 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C6H8N2

DETAILS

MP Biomedicals - 05208065

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 123080

Packaging
100 g in glass bottle