5,7-dimethyl-1,8-naphthyridin-2-amine

• ChemBase ID: 30671
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: c12nc(ccc2c(cc(n1)C)C)N
• Canonical SMILES: Nc1ccc2c(n1)nc(cc2C)C
• InChI: InChI=1S/C10H11N3/c1-6-5-7(2)12-10-8(6)3-4-9(11)13-10/h3-5H,1-2H3,(H2,11,12,13)
• InChIKey: BOSVHBKQNJZNHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-1,8-naphthyridin-2-amine
• IUPAC Traditional name: 5,7-dimethyl-1,8-naphthyridin-2-amine
• Synonyms: 5,7-dimethyl-1,8-naphthyridin-2-amine; 5,7-Dimethyl[1,8]naphthyridin-2-yl-amine; 5,7-Dimethyl-[1,8]naphthyridin-2-ylamine

Database IDs

• CAS Number: 39565-07-6
• MDL Number: MFCD00006732
• PubChem SID: 160993978
• PubChem CID: 97365

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6485429
• LogD (pH = 7.4): 1.6485555
• Log P: 1.6485558
• Molar Refractivity: 54.0418 cm^3
• Polarizability: 20.04655 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220-226°C
• Partition Coefficient: 1.413
• Hydrophobicity(logP): 1.844

Safety Information

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

Product Information

• Purity: 95%; 95+%