1,5-naphthyridin-3-amine

• ChemBase ID: 54491
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: c1c(cc2c(n1)cccn2)N
• Canonical SMILES: Nc1cnc2c(c1)nccc2
• InChI: InChI=1S/C8H7N3/c9-6-4-8-7(11-5-6)2-1-3-10-8/h1-5H,9H2
• InChIKey: QTNIZGZNNIWTGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-naphthyridin-3-amine
• IUPAC Traditional name: 1,5-naphthyridin-3-amine
• Synonyms: 1,5-Naphthyridin-3-amine; 1,5-Naphthyridin-3-amine

Database IDs

• CAS Number: 14756-77-5
• MDL Number: MFCD13189455
• PubChem SID: 162059254
• PubChem CID: 589351

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4699262
• LogD (pH = 7.4): 0.47014958
• Log P: 0.4701524
• Molar Refractivity: 42.1508 cm^3
• Polarizability: 17.21299 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C8H7N3

DETAILS

Sigma Aldrich - ADE000870

Other Notes
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