N-(morpholin-2-ylmethyl)pyridazin-3-amine

• ChemBase ID: 284338
• Molecular Formular: C9H14N4O
• Molecular Mass: 194.23366
• Monoisotopic Mass: 194.11676109
• SMILES: n1ncccc1NCC1OCCNC1
• Canonical SMILES: C(C1CNCCO1)Nc1cccnn1
• InChI: InChI=1S/C9H14N4O/c1-2-9(13-12-3-1)11-7-8-6-10-4-5-14-8/h1-3,8,10H,4-7H2,(H,11,13)
• InChIKey: KHMVPKJFFVRRFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(morpholin-2-ylmethyl)pyridazin-3-amine
• IUPAC Traditional name: N-(morpholin-2-ylmethyl)pyridazin-3-amine
• Synonyms: N-(morpholin-2-ylmethyl)pyridazin-3-amine

Database IDs

• MDL Number: MFCD22375437
• PubChem SID: 180669869
• PubChem CID: 72124935

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.364973
• LogD (pH = 7.4): -1.6281495
• Log P: -0.6800977
• Molar Refractivity: 55.7408 cm^3
• Polarizability: 20.393347 Å^3
• Polar Surface Area: 59.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 17.163425

PROPERTIES

Physical Property

• Melting Point: 148 - 150°C
• Hydrophobicity(logP): -0.098

Product Information

• Purity: 95%