butyltripropylazanium bromide

• ChemBase ID: 136889
• Molecular Formular: C13H30BrN
• Molecular Mass: 280.288
• Monoisotopic Mass: 279.15616197
• SMILES: CCCC[N+](CCC)(CCC)CCC.[Br-]
• Canonical SMILES: CCCC[N+](CCC)(CCC)CCC.[Br-]
• InChI: InChI=1S/C13H30N.BrH/c1-5-9-13-14(10-6-2,11-7-3)12-8-4;/h5-13H2,1-4H3;1H/q+1;/p-1
• InChIKey: SXUONWAMSFNGTD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: butyltripropylazanium bromide
• IUPAC Traditional name: butyltripropylazanium bromide
• Synonyms: Butyltripropylammonium bromide; 丁基三丙基溴化铵

Database IDs

• CAS Number: 61175-77-7
• EC Number: 262-637-2
• MDL Number: MFCD00011846
• PubChem SID: 162231156
• PubChem CID: 3017238

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.010277087
• LogD (pH = 7.4): -0.010277087
• Log P: -0.010277087
• Molar Refractivity: 77.5931 cm^3
• Polarizability: 26.193508 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C13H32BrN