2-chloro-4-methylpyridin-3-amine

• ChemBase ID: 18449
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: c1cnc(c(c1C)N)Cl
• Canonical SMILES: Cc1ccnc(c1N)Cl
• InChI: InChI=1S/C6H7ClN2/c1-4-2-3-9-6(7)5(4)8/h2-3H,8H2,1H3
• InChIKey: UOBCYTOUXLAABU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-methylpyridin-3-amine
• IUPAC Traditional name: 2-chloro-4-methylpyridin-3-amine
• Synonyms: 3-Amino-2-chloro-4-methylpyridine; 2-chloro-4-methylpyridin-3-amine; 3-Amino-2-chloro-4-picoline; 2-Chloro-4-methyl-3-pyridinamine; Capic; 3-Amino-2-chloro-4-methylpyridine; 2-Chloro-3-aMino-4-Methyl pyridine (CAPIC); 3-氨基-2-氯-4-甲基吡啶; 2-氯-3-氨基-4-甲基吡啶

Database IDs

• CAS Number: 133627-45-9
• MDL Number: MFCD00673152
• PubChem SID: 160981756
• PubChem CID: 2756387

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2639785
• LogD (pH = 7.4): 1.2642868
• Log P: 1.2642907
• Molar Refractivity: 39.5088 cm^3
• Polarizability: 14.278105 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethanol
• Apperance: Off White Crystals
• Melting Point: 64-68°C; 65-70 °C; 69-71°C
• Hydrophobicity(logP): 1.603

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-37/38-41
• Safety Statements: 26-36/37; 26-39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H332-H315-H319-H335; H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280H-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C6H7ClN2

DETAILS

Sigma Aldrich - 708135

Packaging
1, 5 g in glass bottle

REFERENCES

• Ouyang, G., et al.: Molecules, 10, 1351 (2005)