4-methyl-N-[2-(morpholin-4-yl)ethyl]-6-phenylpyridazin-3-amine dihydrochloride

• ChemBase ID: 130732
• Molecular Formular: C17H24Cl2N4O
• Molecular Mass: 371.30466
• Monoisotopic Mass: 370.13271677
• SMILES: Cc1cc(nnc1NCCN1CCOCC1)c1ccccc1.Cl.Cl
• Canonical SMILES: Cc1cc(nnc1NCCN1CCOCC1)c1ccccc1.Cl.Cl
• InChI: InChI=1S/C17H22N4O.2ClH/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21;;/h2-6,13H,7-12H2,1H3,(H,18,20);2*1H
• InChIKey: GNUCGROXDZMCJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-[2-(morpholin-4-yl)ethyl]-6-phenylpyridazin-3-amine dihydrochloride
• IUPAC Traditional name: minaprine dihydrochloride
• Synonyms: Minaprine dihydrochloride; N-(4-甲基-6-苯基-3-哒嗪基)-4-吗啉乙胺; 米那卜林 二盐酸盐

Database IDs

• CAS Number: 25905-77-5
• EC Number: 247-329-8
• MDL Number: MFCD00083410
• PubChem SID: 162225010; 24896803
• PubChem CID: 33254

CALCULATED PROPERTIES

• Acid pKa: 19.25459
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3438344
• LogD (pH = 7.4): 2.1580982
• Log P: 2.1896803
• Molar Refractivity: 91.1707 cm^3
• Polarizability: 34.957195 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: QE3477830
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... DRD2(1813), HTR2B(3357), HTR2C(3358), SLC6A4(6532)rat ... Ache(83817), Camk2a(25400), Prkca(24680)

DETAILS

Sigma Aldrich - M3157

Biochem/physiol Actions
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