methyltripropylazanium oxidanide

• ChemBase ID: 139248
• Molecular Formular: C10H25NO
• Molecular Mass: 175.3116
• Monoisotopic Mass: 175.19361443
• SMILES: CCC[N+](C)(CCC)CCC.[OH-]
• Canonical SMILES: CCC[N+](CCC)(CCC)C.[OH-]
• InChI: InChI=1S/C10H24N.H2O/c1-5-8-11(4,9-6-2)10-7-3;/h5-10H2,1-4H3;1H2/q+1;/p-1
• InChIKey: KTDMLSMSWDJKGA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: methyltripropylazanium oxidanide
• IUPAC Traditional name: methyltripropylazanium oxidanide
• Synonyms: Methyltripropylammonium hydroxide solution; 甲基三丙基氢氧化铵 溶液

Database IDs

• CAS Number: 116572-44-2
• MDL Number: MFCD01074784
• PubChem SID: 162233496; 24885943
• PubChem CID: 16218411

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.3341761
• LogD (pH = 7.4): -1.3341761
• Log P: -1.3341761
• Molar Refractivity: 63.7195 cm^3
• Polarizability: 20.652702 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3267
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3267 8/PG 2

Product Information

• Concentration: ~20% in H2O (T)
• Linear Formula: (CH3CH2CH2)3N(OH)CH3