5-methylpyridin-3-amine

• ChemBase ID: 18448
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: c1(cncc(c1)N)C
• Canonical SMILES: Cc1cncc(c1)N
• InChI: InChI=1S/C6H8N2/c1-5-2-6(7)4-8-3-5/h2-4H,7H2,1H3
• InChIKey: JXUWZXFVCBODAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylpyridin-3-amine
• IUPAC Traditional name: 5-methylpyridin-3-amine
• Synonyms: 3-Amino-5-methylpyridine; 3-Amino-5-picoline; 5-methylpyridin-3-amine; 3-Amino-5-methylpyridine; 3-氨基-5-甲基吡啶

Database IDs

• CAS Number: 3430-19-1
• MDL Number: MFCD04112508
• PubChem SID: 160981755
• PubChem CID: 2762894

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.19258697
• LogD (pH = 7.4): 0.41218418
• Log P: 0.4400688
• Molar Refractivity: 33.6427 cm^3
• Polarizability: 12.334603 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 63°C; 59-63 °C; 59-63°C
• Hydrophobicity(logP): 0.817

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT-HARMFUL
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36/37/39
• 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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C6H8N2

DETAILS

Sigma Aldrich - 684856

Packaging
1 g in glass bottle
250 mg in glass bottle