(1S)-4-methyl-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 808580
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: N[C@H]1CCc2c(cccc12)C
• Canonical SMILES: N[C@H]1CCc2c1cccc2C
• InChI: InChI=1S/C10H13N/c1-7-3-2-4-9-8(7)5-6-10(9)11/h2-4,10H,5-6,11H2,1H3/t10-/m0/s1
• InChIKey: MHIOXTVALGXETC-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-4-methyl-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: (1S)-4-methyl-2,3-dihydro-1H-inden-1-amine
• Synonyms: (S)-4-METHYL-INDAN-1-YLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.85305417
• LogD (pH = 7.4): -0.14565514
• Log P: 2.1566598
• Molar Refractivity: 47.1534 cm^3
• Polarizability: 18.379086 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%