decyltrimethylazanium bromide

• ChemBase ID: 152275
• Molecular Formular: C13H30BrN
• Molecular Mass: 280.288
• Monoisotopic Mass: 279.15616197
• SMILES: CCCCCCCCCC[N+](C)(C)C.[Br-]
• Canonical SMILES: CCCCCCCCCC[N+](C)(C)C.[Br-]
• InChI: InChI=1S/C13H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1
• InChIKey: PLMFYJJFUUUCRZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: decyltrimethylazanium bromide
• IUPAC Traditional name: decyltrimethylammonium bromide
• Synonyms: Decyltrimethylammonium bromide; (1-Decyl)trimethylammonium bromide; N,N,N-Trimethyldecan-1-aminium bromide; 十烷基三甲基溴化铵; (1-癸基)三甲基溴化铵

Database IDs

• CAS Number: 2082-84-0
• EC Number: 218-219-7
• MDL Number: MFCD00041973
• Beilstein Number: 3915222
• PubChem SID: 162246420; 24858574
• PubChem CID: 16388

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.019143853
• LogD (pH = 7.4): 0.019143853
• Log P: 0.019143853
• Molar Refractivity: 77.3813 cm^3
• Polarizability: 26.193508 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 243-245°C

Safety Information

• Storage Warning: Hygroscopic
• RTECS: BP6352000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (NT); 95+%; 98%
• Linear Formula: CH3(CH2)9N(CH3)3(Br)

DETAILS

Sigma Aldrich - 30725

Packaging
10, 50 g in poly bottle