[4-(4-methylphenoxy)phenyl]hydrazine hydrochloride

• ChemBase ID: 10451
• Molecular Formular: C13H15ClN2O
• Molecular Mass: 250.724
• Monoisotopic Mass: 250.08729079
• SMILES: Cl.c1c(ccc(c1)Oc1ccc(cc1)NN)C
• Canonical SMILES: NNc1ccc(cc1)Oc1ccc(cc1)C.Cl
• InChI: InChI=1S/C13H14N2O.ClH/c1-10-2-6-12(7-3-10)16-13-8-4-11(15-14)5-9-13;/h2-9,15H,14H2,1H3;1H
• InChIKey: XKCVGENJIPOARL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-methylphenoxy)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [4-(4-methylphenoxy)phenyl]hydrazine hydrochloride
• Synonyms: [4-(4-Methylphenoxy)phenyl]hydrazine hydrochloride; 4-(4-Methylphenoxy)phenylhydrazine hydrochloride

Database IDs

• CAS Number: 108902-83-6
• MDL Number: MFCD03426043
• PubChem SID: 160973758
• PubChem CID: 2760967

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1662362
• LogD (pH = 7.4): 3.375161
• Log P: 3.378597
• Molar Refractivity: 67.0467 cm^3
• Polarizability: 25.000483 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198°C(dec); 198(dec.)°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false