(4-hexylphenyl)hydrazine hydrochloride

• ChemBase ID: 15027
• Molecular Formular: C12H21ClN2
• Molecular Mass: 228.76154
• Monoisotopic Mass: 228.13932636
• SMILES: c1c(ccc(c1)NN)CCCCCC.Cl
• Canonical SMILES: CCCCCCc1ccc(cc1)NN.Cl
• InChI: InChI=1S/C12H20N2.ClH/c1-2-3-4-5-6-11-7-9-12(14-13)10-8-11;/h7-10,14H,2-6,13H2,1H3;1H
• InChIKey: UESGGYWXGDEGAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-hexylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (4-hexylphenyl)hydrazine hydrochloride
• Synonyms: 4-n-Hexylphenylhydrazine hydrochloride; 4-(Hex-1-yl)-1-hydrazinobenzene hydrochloride; 4-(Hex-1-yl)phenylhydrazine hydrochloride

Database IDs

• CAS Number: 126062-51-9
• MDL Number: MFCD06245514
• PubChem SID: 160978334
• PubChem CID: 2760992

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.8587987
• LogD (pH = 7.4): 4.0970845
• Log P: 4.1011534
• Molar Refractivity: 63.8109 cm^3
• Polarizability: 23.903458 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219-221°C(dec); 219-221(dec.)°C

Safety Information

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

Product Information

• Purity: 98%