[2-(2-methylphenoxy)ethyl]hydrazine hydrochloride

• ChemBase ID: 234333
• Molecular Formular: C9H15ClN2O
• Molecular Mass: 202.6812
• Monoisotopic Mass: 202.08729079
• SMILES: c1(c(C)cccc1)OCCNN.Cl
• Canonical SMILES: NNCCOc1ccccc1C.Cl
• InChI: InChI=1S/C9H14N2O.ClH/c1-8-4-2-3-5-9(8)12-7-6-11-10;/h2-5,11H,6-7,10H2,1H3;1H
• InChIKey: VLDMTUUWCOLBPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 46055-16-7
• MDL Number: MFCD01722302
• PubChem SID: 164290243
• PubChem CID: 16242889

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1091832
• LogD (pH = 7.4): 1.3433789
• Log P: 1.3473567
• Molar Refractivity: 60.4891 cm^3
• Polarizability: 19.310823 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105 - 107°C
• Hydrophobicity(logP): 1.465

Product Information

• Purity: 95%
• Salt Data: HCl