1-benzyl-4-hydrazinylpiperidine dihydrochloride

• ChemBase ID: 89951
• Molecular Formular: C12H21Cl2N3
• Molecular Mass: 278.22124
• Monoisotopic Mass: 277.11125305
• SMILES: N1(CCC(CC1)NN)Cc1ccccc1.Cl.Cl
• Canonical SMILES: NNC1CCN(CC1)Cc1ccccc1.Cl.Cl
• InChI: InChI=1S/C12H19N3.2ClH/c13-14-12-6-8-15(9-7-12)10-11-4-2-1-3-5-11;;/h1-5,12,14H,6-10,13H2;2*1H
• InChIKey: ZZCHUBZBYAFNPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-hydrazinylpiperidine dihydrochloride
• IUPAC Traditional name: 1-benzyl-4-hydrazinylpiperidine dihydrochloride
• Synonyms: 1-benzyl-4-hydrazinylpiperidine dihydrochloride; 1-Benzyl-4-hydrazinopiperidine dihydrochloride

Database IDs

• CAS Number: 83949-42-2
• MDL Number: MFCD00035362
• PubChem SID: 162076806
• PubChem CID: 21193157

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5315747
• LogD (pH = 7.4): -1.0021678
• Log P: 0.941165
• Molar Refractivity: 74.9594 cm^3
• Polarizability: 25.06198 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.782

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95%