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

• ChemBase ID: 798134
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: c1cc2c(cc1)CCC[C@@H]2N
• Canonical SMILES: N[C@H]1CCCc2c1cccc2
• InChI: InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2/t10-/m0/s1
• InChIKey: JRZGPXSSNPTNMA-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 23357-52-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.92047
• LogD (pH = 7.4): -0.19281884
• Log P: 2.0878072
• Molar Refractivity: 46.7132 cm^3
• Polarizability: 18.460941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%