piperidine-4-carboximidamide dihydrochloride

• ChemBase ID: 812408
• Molecular Formular: C6H15Cl2N3
• Molecular Mass: 200.1094
• Monoisotopic Mass: 199.06430286
• SMILES: Cl.Cl.C1(CCNCC1)C(=N)N
• Canonical SMILES: NC(=N)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C6H13N3.2ClH/c7-6(8)5-1-3-9-4-2-5;;/h5,9H,1-4H2,(H3,7,8);2*1H
• InChIKey: UOHXQKXOXMRHAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-4-carboximidamide dihydrochloride
• IUPAC Traditional name: piperidine-4-carboximidamide dihydrochloride
• Synonyms: PIPERIDINE-4-CARBOXAMIDINE DIHYDROCHLORIDE

Database IDs

• CAS Number: 1170937-23-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -6.4975877
• LogD (pH = 7.4): -5.898792
• Log P: -0.8568823
• Molar Refractivity: 47.4916 cm^3
• Polarizability: 14.440835 Å^3
• Polar Surface Area: 61.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%