(4-propylphenyl)hydrazine hydrochloride

• ChemBase ID: 15014
• Molecular Formular: C9H15ClN2
• Molecular Mass: 186.6818
• Monoisotopic Mass: 186.09237617
• SMILES: c1c(ccc(c1)NN)CCC.Cl
• Canonical SMILES: CCCc1ccc(cc1)NN.Cl
• InChI: InChI=1S/C9H14N2.ClH/c1-2-3-8-4-6-9(11-10)7-5-8;/h4-7,11H,2-3,10H2,1H3;1H
• InChIKey: DMEKVEDDLQRPOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-propylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (4-propylphenyl)hydrazine hydrochloride
• Synonyms: 4-n-Propylphenylhydrazine hydrochloride; 1-Hydrazino-4-propylbenzene hydrochloride; 4-Propylphenylhydrazine hydrochloride

Database IDs

• CAS Number: 350683-67-9
• MDL Number: MFCD06245506
• PubChem SID: 160978321
• PubChem CID: 2760973

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.5250328
• LogD (pH = 7.4): 2.7633772
• Log P: 2.7674472
• Molar Refractivity: 50.0079 cm^3
• Polarizability: 18.363329 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239-241°C

Safety Information

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

Product Information

• Purity: 98%