2,3-dihydro-1H-inden-1-ylmethanamine

• ChemBase ID: 272970
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: c12c(CCC1CN)cccc2
• Canonical SMILES: NCC1CCc2c1cccc2
• InChI: InChI=1S/C10H13N/c11-7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-7,11H2
• InChIKey: QBHALBZXAXQBOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-inden-1-ylmethanamine; (2,3-dihydro-1H-inden-1-yl)methanamine
• IUPAC Traditional name: 2,3-dihydro-1H-inden-1-ylmethanamine
• Synonyms: (2,3-Dihydro-1H-inden-1-yl)methanamine; 2,3-dihydro-1H-inden-1-ylmethanamine; 2,3-DIHYDRO-1H-INDENE-1-METHANAMINE

Database IDs

• CAS Number: 54949-92-7
• MDL Number: MFCD08457607
• PubChem SID: 164328880
• PubChem CID: 14348692

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2081476
• LogD (pH = 7.4): -0.5121466
• Log P: 1.8023437
• Molar Refractivity: 46.997 cm^3
• Polarizability: 18.38155 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.937

Product Information

• Purity: 95%; 95+%; 98%