(4-ethylphenyl)hydrazine hydrochloride

• ChemBase ID: 10452
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: c1c(ccc(c1)NN)CC.Cl
• Canonical SMILES: CCc1ccc(cc1)NN.Cl
• InChI: InChI=1S/C8H12N2.ClH/c1-2-7-3-5-8(10-9)6-4-7;/h3-6,10H,2,9H2,1H3;1H
• InChIKey: YGFUKCJADFMHGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (4-ethylphenyl)hydrazine hydrochloride
• Synonyms: (4-Ethylphenyl)hydrazine hydrochloride; 4-Ethylphenylhydrazine hydrochloride

Database IDs

• CAS Number: 53661-18-0
• MDL Number: MFCD01861267
• PubChem SID: 160973759
• PubChem CID: 2760970

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0798564
• LogD (pH = 7.4): 2.3187954
• Log P: 2.3228786
• Molar Refractivity: 45.4069 cm^3
• Polarizability: 16.516926 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128-130°C

Safety Information

• Storage Warning: Irritant; IRRITANT, IRRITANT-HARMFUL
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%