(2-phenoxyethyl)hydrazine hydrochloride

• ChemBase ID: 258451
• Molecular Formular: C8H13ClN2O
• Molecular Mass: 188.65462
• Monoisotopic Mass: 188.07164073
• SMILES: N(N)CCOc1ccccc1.Cl
• Canonical SMILES: NNCCOc1ccccc1.Cl
• InChI: InChI=1S/C8H12N2O.ClH/c9-10-6-7-11-8-4-2-1-3-5-8;/h1-5,10H,6-7,9H2;1H
• InChIKey: KDJBRRKMKRWPBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenoxyethyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-phenoxyethyl)hydrazine hydrochloride
• Synonyms: 1-(2-phenoxyethyl)hydrazine hydrochloride

Database IDs

• CAS Number: 4230-21-1
• MDL Number: MFCD01722354
• PubChem SID: 164314361
• PubChem CID: 12489387

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5965031
• LogD (pH = 7.4): 0.8299735
• Log P: 0.8339353
• Molar Refractivity: 55.4479 cm^3
• Polarizability: 17.544014 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.966

Product Information

• Purity: 95%