[2-(4-chlorophenoxy)ethyl]hydrazine hydrochloride

• ChemBase ID: 234327
• Molecular Formular: C8H12Cl2N2O
• Molecular Mass: 223.09968
• Monoisotopic Mass: 222.03266837
• SMILES: N(N)CCOc1ccc(Cl)cc1.Cl
• Canonical SMILES: NNCCOc1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C8H11ClN2O.ClH/c9-7-1-3-8(4-2-7)12-6-5-11-10;/h1-4,11H,5-6,10H2;1H
• InChIKey: PQTJCBUNRRSIQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-chlorophenoxy)ethyl]hydrazine hydrochloride
• IUPAC Traditional name: [2-(4-chlorophenoxy)ethyl]hydrazine hydrochloride
• Synonyms: [2-(4-chlorophenoxy)ethyl]hydrazine hydrochloride

Database IDs

• CAS Number: 69782-24-7
• MDL Number: MFCD01722525
• PubChem SID: 164290237
• PubChem CID: 3053302

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.200999
• LogD (pH = 7.4): 1.4340279
• Log P: 1.43798
• Molar Refractivity: 60.2527 cm^3
• Polarizability: 19.40339 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110 - 112°C
• Hydrophobicity(logP): 1.819

Product Information

• Purity: 95%
• Salt Data: HCl