N-Benzyl-N-methylethanolamine (HCID 66876)

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

N-Benzyl-N-methylethanolamine101-98-4Ethanol, 2-[methyl(phenylmethyl)amino]-2-(Benzylmethylamino)ethanolN-Methyl-N-benzylethanolamineEthanol, 2-(benzylmethylamino)-N-Benzyl-N-methyl-ethanolamineEthanol, 2-(methyl(phenylmethyl)amino)-N-benzyl-N-methyl-2-aminoethanol61LYX8089CEINECS 202-994-3AI3-26797

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 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 110

Experimental & physicochemical properties

Kovats Retention Index1328.7

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: 2 · Ethanol, 2-[methyl(phenylmethyl)amino]-(101-98-4)
EPA Substance Registry System: 2 · Ethanol, 2-[methyl(phenylmethyl)amino]- (101-98-4)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 305 · P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29214990 · 29214990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 26-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20045

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%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (97.8%)

Regulatory information

Regulatory Information · 2 items

Status: Active Update: 26-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20045

Ethanol, 2-methyl(phenylmethyl)amino-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
hs_code: 29214990
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
Hazard statements: H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanol, 2-[methyl(phenylmethyl)amino]-: ACTIVE

Applications · 3 items

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.