2-(2,3-dihydro-1H-inden-5-yloxy)propanehydrazide

• ChemBase ID: 27214
• Molecular Formular: C12H16N2O2
• Molecular Mass: 220.26764
• Monoisotopic Mass: 220.12117776
• SMILES: C(=O)(C(Oc1cc2c(cc1)CCC2)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc2c(c1)CCC2)C
• InChI: InChI=1S/C12H16N2O2/c1-8(12(15)14-13)16-11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4,13H2,1H3,(H,14,15)
• InChIKey: BUYZYHKSNBCYEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-5-yloxy)propanehydrazide
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-5-yloxy)propanehydrazide
• Synonyms: 2-(2,3-Dihydro-1H-inden-5-yloxy)propanohydrazide

Database IDs

• CAS Number: 669745-23-7
• MDL Number: MFCD03423134
• PubChem SID: 160990521
• PubChem CID: 3736678

CALCULATED PROPERTIES

• Acid pKa: 12.400745
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7651917
• LogD (pH = 7.4): 1.7665678
• Log P: 1.7665893
• Molar Refractivity: 62.2872 cm^3
• Polarizability: 23.804737 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false