6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-amine

• ChemBase ID: 67727
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: n1cc(cc2CN(CCc12)C)N
• Canonical SMILES: CN1Cc2cc(N)cnc2CC1
• InChI: InChI=1S/C9H13N3/c1-12-3-2-9-7(6-12)4-8(10)5-11-9/h4-5H,2-3,6,10H2,1H3
• InChIKey: YWVJXRLEURDFAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-amine
• IUPAC Traditional name: 6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-amine
• Synonyms: 3-Amino-5,6,7,8-tetrahydro-6-methyl-1,6-naphthyridine; 5,6,7,8-Tetrahydro-6-Methyl-1,6-naphthyridin-3-aMine

Database IDs

• CAS Number: 216966-37-9
• MDL Number: MFCD09743968
• PubChem SID: 162033462
• PubChem CID: 11744958

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3890634
• LogD (pH = 7.4): -1.9047103
• Log P: -0.06224387
• Molar Refractivity: 49.876 cm^3
• Polarizability: 18.65238 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%