1-(2,3-dihydro-1H-inden-5-yl)ethan-1-amine

• ChemBase ID: 31274
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: c1c(ccc2c1CCC2)C(N)C
• Canonical SMILES: CC(c1ccc2c(c1)CCC2)N
• InChI: InChI=1S/C11H15N/c1-8(12)10-6-5-9-3-2-4-11(9)7-10/h5-8H,2-4,12H2,1H3
• InChIKey: AIZOWKLMMYHPJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1H-inden-5-yl)ethan-1-amine
• IUPAC Traditional name: 1-(2,3-dihydro-1H-inden-5-yl)ethanamine
• Synonyms: 1-Indan-5-yl-ethylamine; 1-(2,3-dihydro-1H-inden-5-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD07399633
• PubChem SID: 160994581
• PubChem CID: 6495992

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.48672777
• LogD (pH = 7.4): 0.21647772
• Log P: 2.523275
• Molar Refractivity: 51.8314 cm^3
• Polarizability: 20.224909 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.416

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%