Benzyltrimethylammonium methoxide

HCID 8504

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Basic information

CAS: 122-08-7
Standard SMILES: C[N+](C)(C)Cc1ccccc1.C[O-]
InChIKey: SMTUJUHULKBTBS-UHFFFAOYSA-N
Molecular formula: C11H19NO
Average molar mass: 181.27 g/mol
Monoisotopic mass: 181.14666423

Names & identifiers

Preferred name: Benzyltrimethylammonium methoxide
IUPAC: benzyl(trimethyl)azanium;methanolate
English name: Benzyltrimethylammonium methoxide
Molecular formula: C11H19NO
Molecular weight: 181.28

Names & synonyms

Benzyltrimethylammonium methoxide122-08-7Benzyltrimethylammonium methanolateN,N,N-Trimethylbenzenemethanaminium methoxideBenzenemethanaminium, N,N,N-trimethyl-, methoxideAMMONIUM, BENZYLTRIMETHYL-, METHOXIDENSC-221306QT9DB9C7Y6DTXSID5059537Benzenemethanaminium, N,N,N-trimethyl-, salt with methanol (1:1)RefChem:119018DTXCID3033723

Show more names

benzyltrimethyl-ammoniumethoxideBenzyltrimethylaminium·methoxideN-BENZYL-N,N,N-TRIMETHYLAMMONIUM METHOXIDEn,n,n-trimethyl-benzenemethanaminiumethoxideBenzyl trimethylammonium methoxide, 40 wt% soln. in methanolBENZYL TRIMETHYLAMMONIUM METHOXIDE, 40% SOLUTION IN METHANOLBenzyltrimethylammonium methoxide, 40 wt% solution in methanol

204-521-6benzyl(trimethyl)azanium;methanolateEINECS 204-521-6NSC 221306trimethyl benzyl ammonium methoxideAmmonium, methoxidebenzyltrimethylammoniummethoxideSCHEMBL239249

Database identifiers

CAS: 122-08-7
PubChem CID: 8504
DTXSID: DTXSID5059537
UNII: QT9DB9C7Y6
EC Number: 204-521-6

Properties

Computed structural properties

Topological polar surface area: 23.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 109

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Quaternary Amines

Physical Description40% Methanol solution: Clear faintly yellow liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Density: 0.9 · 0.9
Flash point: 11 °C · 11 °C
storage temp.: Flammables area
form: Solution
color: Clear colorless to light yellow
FDA UNII: 9 DB9C7Y6 · QT9DB9C7Y6
EPA Substance Registry System: Benzenemethanaminium, N,N,N-trimethyl-, methoxide (122-08-7)
Hazard Codes: T-F,T
Risk Statements: 39 · 39/23/24/25-34-23/24/25-11
Safety Statements: 7 · 7-45-36/37/39-28A-26-16
RIDADR: 3286 · 3286
TSCA: TSCA listed
HS Code: 29239000 · 29239000

Safety & regulation

Hazard information

Hazards Summary · 1 item

Intravenous LD50 (mouse) = 5.6 mg/kg; [RTECS] 40% Methanol solution: Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by ingestion, inhalation, and skin absorption; Risk of serious irreversible adverse health effects; Targets the eye and kidney; [Sigma-Aldrich MSDS] See Methyl alcohol.

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

tsca: TSCA listed
ridadr: 3286
hs_code: 29239000
risk_code: 39/23/24/25-34-23/24/25-11
hazard_code: T-F,T
safety_code: 7-45-36/37/39-28A-26-16

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.

Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.