1-(1-amino-2-methylpropyl)naphthalen-2-ol

• ChemBase ID: 804656
• Molecular Formular: C14H17NO
• Molecular Mass: 215.29088
• Monoisotopic Mass: 215.13101417
• SMILES: c1cc2c(cc1)ccc(c2C(C(C)C)N)O
• Canonical SMILES: CC(C(c1c(O)ccc2c1cccc2)N)C
• InChI: InChI=1S/C14H17NO/c1-9(2)14(15)13-11-6-4-3-5-10(11)7-8-12(13)16/h3-9,14,16H,15H2,1-2H3
• InChIKey: MYFKTRVPAJLXPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-amino-2-methylpropyl)naphthalen-2-ol
• IUPAC Traditional name: 1-(1-amino-2-methylpropyl)naphthalen-2-ol
• Synonyms: 1-(1-AMINO-2-METHYL-PROPYL)NAPHTHALEN-2-OL

Database IDs

• CAS Number: 915866-74-9

CALCULATED PROPERTIES

• Acid pKa: 8.122126
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.17245178
• LogD (pH = 7.4): 1.3904717
• Log P: 2.1118057
• Molar Refractivity: 66.3769 cm^3
• Polarizability: 27.434061 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%