4-(piperidin-1-ium-4-yl)piperidin-1-ium dichloride

• ChemBase ID: 302437
• Molecular Formular: C10H22Cl2N2
• Molecular Mass: 241.20108
• Monoisotopic Mass: 240.11600407
• SMILES: C1C[NH2+]CCC1C1CC[NH2+]CC1.[Cl-].[Cl-]
• Canonical SMILES: [NH2+]1CCC(CC1)C1CC[NH2+]CC1.[Cl-].[Cl-]
• InChI: InChI=1S/C10H20N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h9-12H,1-8H2;2*1H
• InChIKey: MQKBVVIPCLTENX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-ium-4-yl)piperidin-1-ium dichloride
• IUPAC Traditional name: 4-(piperidin-1-ium-4-yl)piperidin-1-ium dichloride
• Synonyms: 4,4'-Bipiperidine dihydrochloride; 4,4'-联哌啶二盐酸盐

Database IDs

• CAS Number: 78619-84-8
• EC Number: 278-958-6
• MDL Number: MFCD00005998
• Beilstein Number: 3687878

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): -5.9269867
• LogD (pH = 7.4): -5.0132837
• Log P: 0.5361503
• Molar Refractivity: 74.5936 cm^3
• Polarizability: 20.623896 Å^3
• Polar Surface Area: 33.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%