1,2,3,4-tetrahydronaphthalene-1-carbohydrazide

• ChemBase ID: 813644
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: c1cc2c(cc1)CCCC2C(=O)NN
• Canonical SMILES: NNC(=O)C1CCCc2c1cccc2
• InChI: InChI=1S/C11H14N2O/c12-13-11(14)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,12H2,(H,13,14)
• InChIKey: UFSXAIDNMJEWFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
• IUPAC Traditional name: 1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
• Synonyms: 1,2,3,4-TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID HYDRAZIDE

Database IDs

• CAS Number: 321198-18-9

CALCULATED PROPERTIES

• Acid pKa: 12.998967
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.54308
• LogD (pH = 7.4): 1.5448031
• Log P: 1.5448263
• Molar Refractivity: 56.0864 cm^3
• Polarizability: 21.360224 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%