(4-butylphenyl)hydrazine hydrochloride

• ChemBase ID: 15024
• Molecular Formular: C10H17ClN2
• Molecular Mass: 200.70838
• Monoisotopic Mass: 200.10802623
• SMILES: c1c(ccc(c1)NN)CCCC.Cl
• Canonical SMILES: CCCCc1ccc(cc1)NN.Cl
• InChI: InChI=1S/C10H16N2.ClH/c1-2-3-4-9-5-7-10(12-11)8-6-9;/h5-8,12H,2-4,11H2,1H3;1H
• InChIKey: FXWNLNIZDNTDFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-butylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (4-butylphenyl)hydrazine hydrochloride
• Synonyms: 4-n-Butylphenylhydrazine hydrochloride; 4-Butylphenylhydrazine hydrochloride

Database IDs

• CAS Number: 64287-11-2
• MDL Number: MFCD00800665
• PubChem SID: 160978331
• PubChem CID: 2760989

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9696593
• LogD (pH = 7.4): 3.2079473
• Log P: 3.2120159
• Molar Refractivity: 54.6089 cm^3
• Polarizability: 20.209972 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >215°C(dec); >215(dec.)°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%