4-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride

• ChemBase ID: 270917
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: c12c(C(CC1)N)cccc2C.Cl
• Canonical SMILES: NC1CCc2c1cccc2C.Cl
• InChI: InChI=1S/C10H13N.ClH/c1-7-3-2-4-9-8(7)5-6-10(9)11;/h2-4,10H,5-6,11H2,1H3;1H
• InChIKey: NDMCZAVGDDQQOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride
• IUPAC Traditional name: 4-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride
• Synonyms: 4-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride

Database IDs

• MDL Number: MFCD17977028
• PubChem SID: 164326827
• PubChem CID: 50988147

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

Physical Property

• Melting Point: 254 - 256°C
• Hydrophobicity(logP): 2.007

Product Information

• Purity: 95%