(2S)-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 798130
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: c1cc2c(cc1)CC[C@@H](C2)N
• Canonical SMILES: N[C@H]1CCc2c(C1)cccc2
• InChI: InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2/t10-/m0/s1
• InChIKey: LCGFVWKNXLRFIF-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: (2S)-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: (s)-2-amino-1,2,3,4-tetrahydroNaphthalene

Database IDs

• CAS Number: 21880-87-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0876839
• LogD (pH = 7.4): -0.556096
• Log P: 1.9318997
• Molar Refractivity: 46.8672 cm^3
• Polarizability: 18.382362 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%