methyl 2-amino-2,3-dihydro-1H-indene-2-carboxylate

• ChemBase ID: 812929
• Molecular Formular: C11H13NO2
• Molecular Mass: 191.22642
• Monoisotopic Mass: 191.09462866
• SMILES: C1C(Cc2ccccc12)(C(=O)OC)N
• Canonical SMILES: COC(=O)C1(N)Cc2c(C1)cccc2
• InChI: InChI=1S/C11H13NO2/c1-14-10(13)11(12)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7,12H2,1H3
• InChIKey: UVMXRCKHFMQNJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-2,3-dihydro-1H-indene-2-carboxylate
• IUPAC Traditional name: methyl 2-amino-1,3-dihydroindene-2-carboxylate
• Synonyms: 2-AMINO-INDAN-2-CARBOXYLIC ACID METHYL ESTER

Database IDs

• CAS Number: 134425-84-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3270912
• LogD (pH = 7.4): 1.136257
• Log P: 1.3393556
• Molar Refractivity: 53.1597 cm^3
• Polarizability: 21.092178 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%