(4-pentylphenyl)hydrazine hydrochloride

• ChemBase ID: 15026
• Molecular Formular: C11H19ClN2
• Molecular Mass: 214.73496
• Monoisotopic Mass: 214.1236763
• SMILES: c1c(ccc(c1)NN)CCCCC.Cl
• Canonical SMILES: CCCCCc1ccc(cc1)NN.Cl
• InChI: InChI=1S/C11H18N2.ClH/c1-2-3-4-5-10-6-8-11(13-12)9-7-10;/h6-9,13H,2-5,12H2,1H3;1H
• InChIKey: NEHBSEKAJYPZOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-pentylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (4-pentylphenyl)hydrazine hydrochloride
• Synonyms: 4-n-Pentylphenylhydrazine hydrochloride

Database IDs

• MDL Number: MFCD06245513
• PubChem SID: 160978333
• PubChem CID: 2760990

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.41423
• LogD (pH = 7.4): 3.652516
• Log P: 3.6565845
• Molar Refractivity: 59.2099 cm^3
• Polarizability: 22.05669 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >210°C(dec); >210(dec.)°C

Safety Information

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

Product Information

• Purity: 98%