6-chloro-N,N-dimethylpyridazin-3-amine

• ChemBase ID: 16115
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: n1nc(ccc1N(C)C)Cl
• Canonical SMILES: CN(c1ccc(nn1)Cl)C
• InChI: InChI=1S/C6H8ClN3/c1-10(2)6-4-3-5(7)8-9-6/h3-4H,1-2H3
• InChIKey: APSLTSHWUCNYLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-dimethylpyridazin-3-amine
• IUPAC Traditional name: 3-CL-6-pyridazinamine,N,N-dime
• Synonyms: 6-chloro-N,N-dimethylpyridazin-3-amine; 6-chloro-N,N-dimethyl-3-pyridazinamine; (6-Chloro-pyridazin-3-yl)-dimethyl-amine

Database IDs

• CAS Number: 3814-20-8; 7145-60-0
• MDL Number: MFCD02732844
• PubChem SID: 160979422
• PubChem CID: 252474

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3023005
• LogD (pH = 7.4): 1.3025239
• Log P: 1.3025267
• Molar Refractivity: 44.3726 cm^3
• Polarizability: 15.338029 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.229

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%