6-chloro-4,5-dimethylpyridazin-3-amine

• ChemBase ID: 15508
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: c1(c(c(c(nn1)Cl)C)C)N
• Canonical SMILES: Nc1nnc(c(c1C)C)Cl
• InChI: InChI=1S/C6H8ClN3/c1-3-4(2)6(8)10-9-5(3)7/h1-2H3,(H2,8,10)
• InChIKey: NYQKWJMDQIXMEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4,5-dimethylpyridazin-3-amine
• IUPAC Traditional name: 6-chloro-4,5-dimethylpyridazin-3-amine
• Synonyms: 3-Amino-6-chloro-4,5-dimethylpyridazine; 6-Chloro-4,5-dimethylpyridazin-3-amine

Database IDs

• CAS Number: 76593-36-7
• MDL Number: MFCD00828815
• PubChem SID: 160978815
• PubChem CID: 6991943

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3808615
• LogD (pH = 7.4): 1.3922524
• Log P: 1.3923997
• Molar Refractivity: 44.7268 cm^3
• Polarizability: 15.189379 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 202-206°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%