1,1-dimethylpiperidin-1-ium chloride

• ChemBase ID: 158263
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: C[N+]1(CCCCC1)C.[Cl-]
• Canonical SMILES: C[N+]1(C)CCCCC1.[Cl-]
• InChI: InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1
• InChIKey: VHOVSQVSAAQANU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dimethylpiperidin-1-ium chloride
• IUPAC Traditional name: 1,1-dimethylpiperidin-1-ium chloride
• Synonyms: 1,1-Dimethylpiperidinium chloride; Mepiquat chloride; 1,1-二甲基哌啶鎓化物; 缩节胺

Database IDs

• CAS Number: 24307-26-4
• EC Number: 246-147-6
• MDL Number: MFCD00055543
• Beilstein Number: 3914089
• PubChem SID: 162252399
• PubChem CID: 62781

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.1218011
• LogD (pH = 7.4): -3.1218011
• Log P: -3.1218011
• Molar Refractivity: 48.0437 cm^3
• Polarizability: 14.371663 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: TN4939200
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-52/53
• Safety Statements: 61
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H412
• GHS Precautionary statements: P273
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C7H16ClN

DETAILS

Sigma Aldrich - 36151

Legal Information
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