1-(2-hydrazinylethyl)piperidine trihydrochloride

• ChemBase ID: 257530
• Molecular Formular: C7H20Cl3N3
• Molecular Mass: 252.6128
• Monoisotopic Mass: 251.0722807
• SMILES: N1(CCNN)CCCCC1.Cl.Cl.Cl
• Canonical SMILES: NNCCN1CCCCC1.Cl.Cl.Cl
• InChI: InChI=1S/C7H17N3.3ClH/c8-9-4-7-10-5-2-1-3-6-10;;;/h9H,1-8H2;3*1H
• InChIKey: WYDGGEAQKVEIDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-hydrazinylethyl)piperidine trihydrochloride
• IUPAC Traditional name: 1-(2-hydrazinylethyl)piperidine trihydrochloride
• Synonyms: 1-(2-hydrazinoethyl)piperidine trihydrochloride

Database IDs

• MDL Number: MFCD11505479
• PubChem SID: 164313440
• PubChem CID: 43810706

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.9366834
• LogD (pH = 7.4): -1.2170349
• Log P: 0.058896374
• Molar Refractivity: 55.0568 cm^3
• Polarizability: 17.281263 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.575

Product Information

• Purity: 95%