4-(6-chloropyridazin-3-yl)morpholine

• ChemBase ID: 35826
• Molecular Formular: C8H10ClN3O
• Molecular Mass: 199.6375
• Monoisotopic Mass: 199.05123964
• SMILES: n1c(N2CCOCC2)ccc(n1)Cl
• Canonical SMILES: Clc1ccc(nn1)N1CCOCC1
• InChI: InChI=1S/C8H10ClN3O/c9-7-1-2-8(11-10-7)12-3-5-13-6-4-12/h1-2H,3-6H2
• InChIKey: QDXCFLKGKSWHMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-chloropyridazin-3-yl)morpholine
• IUPAC Traditional name: 4-(6-chloropyridazin-3-yl)morpholine
• Synonyms: 4-(6-Chloropyridazin-3-yl)morpholine

Database IDs

• CAS Number: 17259-32-4
• MDL Number: MFCD00574575
• PubChem SID: 160999133
• PubChem CID: 321079

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0838555
• LogD (pH = 7.4): 1.0840241
• Log P: 1.0840262
• Molar Refractivity: 53.4471 cm^3
• Polarizability: 19.020527 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 133°C
• Partition Coefficient: 1.795
• Hydrophobicity(logP): 0.69

Safety Information

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

Product Information

• Purity: 95%; 95+%; 97%