6-methyl-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 808584
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1C(c2cc(ccc2C1)C)N
• Canonical SMILES: Cc1ccc2c(c1)C(N)CC2
• InChI: InChI=1S/C10H13N/c1-7-2-3-8-4-5-10(11)9(8)6-7/h2-3,6,10H,4-5,11H2,1H3
• InChIKey: FMQGLSSKBZCURE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 6-methyl-2,3-dihydro-1H-inden-1-amine
• Synonyms: 2,3-DIHYDRO-6-METHYL-1H-INDEN-1-AMINE

Database IDs

• CAS Number: 361389-84-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.85291404
• LogD (pH = 7.4): -0.1434949
• Log P: 2.1566598
• Molar Refractivity: 47.1534 cm^3
• Polarizability: 18.378807 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%