2,3-dihydro-1-benzofuran-5-ylhydrazine hydrochloride

• ChemBase ID: 244526
• Molecular Formular: C8H11ClN2O
• Molecular Mass: 186.63874
• Monoisotopic Mass: 186.05599066
• SMILES: c12c(OCC2)ccc(c1)NN.Cl
• Canonical SMILES: NNc1ccc2c(c1)CCO2.Cl
• InChI: InChI=1S/C8H10N2O.ClH/c9-10-7-1-2-8-6(5-7)3-4-11-8;/h1-2,5,10H,3-4,9H2;1H
• InChIKey: LNANDMSIBUGVJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-5-ylhydrazine hydrochloride
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-5-ylhydrazine hydrochloride
• Synonyms: 2,3-dihydro-1-benzofuran-5-ylhydrazine hydrochloride

Database IDs

• MDL Number: MFCD19202765
• PubChem SID: 164300436
• PubChem CID: 55281104

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0149822
• LogD (pH = 7.4): 1.2432578
• Log P: 1.2471057
• Molar Refractivity: 45.5375 cm^3
• Polarizability: 16.439526 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.503

Product Information

• Purity: 95%