N-Benzyl-N-methylethanolamine
Basic information
- CAS
101-98-4- Standard SMILES
CN(CCO)Cc1ccccc1- InChIKey
WOUANPHGFPAJCA-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- N-Benzyl-N-methylethanolamine
- IUPAC
- 2-[benzyl(methyl)amino]ethanol
- English name
- N-Benzyl-N-methylethanolamine
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
101-98-4N-Benzyl-N-methylethanolamineEthanol, 2-[methyl(phenylmethyl)amino]-2-(Benzylmethylamino)ethanolN-Methyl-N-benzylethanolamineN-benzyl-N-methyl-2-aminoethanolEthanol, 2-(benzylmethylamino)-N-Benzyl-N-methyl-ethanolamineEthanol, 2-(methyl(phenylmethyl)amino)-AI3-2679761LYX8089CEINECS 202-994-3
Show more names
N-Benzyl-N-methylethanolamine,90%2-[BENZYL(METHYL)AMINO]ACETALDEHYDE2-[methyl(phenylmethyl)amino]-ethanoN-Benzyl-N-MethylNicardipine Impurity87Nicardipine Impurity 6Fluoxetine Impurity 37Fluoxetine Impurity 44
DTXSID5059242.BETA.-(N-BENZYL-N-METHYLAMINO)ETHANOLN-BENZYL-N-METHYL-ETHANOLAMINE [USP-RS]N-BENZYL-N-METHYL-ETHANOLAMINE (USP-RS)RefChem:829216DTXCID8032592Ethanol, 2-methyl(phenylmethyl)amino-BETA-(N-BENZYL-N-METHYLAMINO)ETHANOL
Database identifiers
- CAS
101-98-4- PubChem CID
- 66876
- DTXSID
DTXSID5059242- UNII
- 61LYX8089C
- EC Number
- 202-994-3
- Nikkaji
- J31.140E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 95 · 95-105 °C2 mm Hg(lit.)
- Density
- 1.017 g/mL · 1.017 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.529(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 14.75 · 14.75±0.10(Predicted)
- color
- Colourless
- BRN
- 366412 · 366412
- InChI
- InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
- InChIKey
- WOUANPHGFPAJCA-UHFFFAOYSA-N
- SMILES
- C(O)CN(C)CC1=CC=CC=C1
- CAS DataBase Reference
- 101 · 101-98-4(CAS DataBase Reference)
- FDA UNII
- 61 LYX8089C · 61LYX8089C
- NIST Chemistry Reference
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: 2-(benzylmethylamino)ethanol (EC: 202-994-3)
Ethanol, 2-methyl(phenylmethyl)amino-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2922199090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-[methyl(phenylmethyl)amino]-: ACTIVE
Applications
DescriptionN-Benzyl-N-methylethanolamine is a surfactant that has a high capacity for adsorbing proteins. It is used as an efficient method to remove impurities from human immunoglobulin preparations and as an adsorbent in chromatographic methods. N-Benzyl-N-methylethanolamine has also been used as a diagnostic agent for the detection of chromatographically separated monoclonal antibodies, which are produced by activated B cells in culture. The antibody binds to the target protein and then the antibody-protein complex is isolated using a particle agglomeration technique. This method can be repeated multiple times and produce high concentrations of pure monoclonal antibodies.
Uses2-[Methyl(phenylmethyl)amino]ethanol is used in the preparation of dihydropyrimidinones as sodium iodide symporter inhibitors used to regulate the accumulation of iodide in the thyroid gland. Also used in the synthesis of new class of pseudopeptides as potential inhibitors of β-sheet aggregation.
General DescriptionN-Benzyl-N-methylethanolamine is a tertiary benzylamine. Electrochemical alkoxylation of N-benzyl-N-methylethanolamine is reported. Rate of proton exchange of N-benzyl-N-methylethanolamine in aqueous HCl has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
98 records
Compound notes
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