6-(4-methylpiperazin-1-yl)pyridin-3-amine

• ChemBase ID: 40096
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: N1(c2ncc(N)cc2)CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)c1ccc(cn1)N
• InChI: InChI=1S/C10H16N4/c1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10/h2-3,8H,4-7,11H2,1H3
• InChIKey: NZTCEWZBMOTKCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methylpiperazin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(4-methylpiperazin-1-yl)pyridin-3-amine
• Synonyms: 6-(4-Methylpiperazino)-3-pyridinamine; 6-(4-Methylpiperazin-1-yl)pyridin-3-amine; 1-(5-Amniopyridin-2-yl)-4-methylpiperazine; 5-Amino-2-(4-methylpiperazin-1-yl)pyridine; 6-(4-methyl-1-piperazinyl)-3-pyridinamine; 6-(4-methylpiperazin-1-yl)pyridin-3-amine; 3-Amino-6-(4-methylpiperazin-1-yl)pyridine

Database IDs

• CAS Number: 55403-35-5
• MDL Number: MFCD03425719
• PubChem SID: 162044859
• PubChem CID: 2763390

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9549503
• LogD (pH = 7.4): 0.024006637
• Log P: 0.4762684
• Molar Refractivity: 59.3937 cm^3
• Polarizability: 21.712683 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106 - 108 °C; 106-108°C; 109 - 111°C
• Hydrophobicity(logP): 0.252

Safety Information

• Storage Condition: Store under N2 at 4°C
• Storage Warning: IRRITANT; Irritant/Store under Argon
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 98%