ChemicalBook--->CAS DataBase List--->104-63-2

104-63-2

104-63-2 Structure

104-63-2 Structure
IdentificationMore
[Name]

N-Benzylethanolamine
[CAS]

104-63-2
[Synonyms]

2-BENZYLAMINOETHANOL
N-(2-HYDROXYETHYL)BENZYLAMINE
NBEA
N-BENZYLETHANOLAMINE
N-BENZYL-N-ETHANOLAMINE
TIMTEC-BB SBB004062
(N-Benzylamino)ethanol
2-(Phenylmethyl)amino-ethanol
2-[(phenylmethyl)amino]-ethano
Benzylaminoethanol
Benzylethanolamine
Ethanol, 2-(benzylamino)-
N-Benzyleethanolamine
N-Benzylethanolamine, 98+%
2-(N-BENZYLAMINO)ETHANOL
Ethanol, 2-(phenylmethyl)amino-
N-(2-Hydroxyethyl)benzenemethanamine
N-Benzyl-2-aminoethanol
N-Benzyl-2-hydroxyethylamine
N-Benzyl-N-(2-hydroxyethyl)amine
[EINECS(EC#)]

203-221-2
[Molecular Formula]

C9H13NO
[MDL Number]

MFCD00002840
[Molecular Weight]

151.21
[MOL File]

104-63-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

-30℃
[Boiling point ]

153-156 °C12 mm Hg(lit.)
[density ]

1.065 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.543(lit.)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

162g/l (calculated)
[form ]

Liquid
[pka]

14.59±0.10(Predicted)
[color ]

Clear colorless to light yellow
[Water Solubility ]

MISCIBLE
[BRN ]

775164
[InChI]

1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
[InChIKey]

XNIOWJUQPMKCIJ-UHFFFAOYSA-N
[SMILES]

OCCNCc1ccccc1
[Uses]

Corrosion inhibitor; intermediate.
[CAS DataBase Reference]

104-63-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Ethanol, 2-[(phenylmethyl)amino]-(104-63-2)
[EPA Substance Registry System]

Ethanol, 2-[(phenylmethyl)amino]- (104-63-2)
Questions And AnswerBack Directory
[Synthesis]

In a 1L high-pressure reactor, 200g of benzaldehyde, 126.6g of ethanolamine, 20g of alkali, 600mL of methanol, and 0.2g of Pd/C catalyst with a mass percentage of 3% were added. The high-pressure reactor was evacuated to a pressure of -0.09MPa. Nitrogen gas was introduced into the reactor three times after evacuation, followed by hydrogen gas three times. Hydrogen gas was then introduced until the pressure inside the reactor reached 1MPa. The reactor was stirred and reacted for 6 hours at a temperature of 50℃ and a hydrogen pressure of 1MPa. After the reaction was completed, the mixture was cooled to room temperature, filtered, and the filtrate and residue were obtained. The filtrate was distilled at atmospheric pressure to remove methanol from the fraction between 60℃ and 70℃. The filtrate after methanol removal was cooled to room temperature, and the pressure was reduced to 1.6KPa for further distillation. The fraction between 153℃ and 156℃ was collected, yielding 267.6g of colorless liquid, which is N-benzylethanolamine.

composition of 104-63-2

Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29221980
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

1-Boc-2-Methylpiperazine-->N1-BENZYL-N1-METHYLETHANE-1,2-DIAMINE-->tert-butyl benzyl(2-oxoethyl)carbamate-->2-(benzylaminoethoxy)tetrahydropyran-->N-Benzyl-2-chloro-N-(2-hydroxyethyl)acetamide-->4-Benzyl-morpholin-2-one-->Aprepitant Impurity 9
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

N-Benzylethanolamine(104-63-2).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Definition]

ChEBI: N-Benzylethanolamine is an aromatic amine.
Spectrum DetailBack Directory
[Spectrum Detail]

N-Benzylethanolamine(104-63-2)MS
N-Benzylethanolamine(104-63-2)1HNMR
N-Benzylethanolamine(104-63-2)13CNMR
N-Benzylethanolamine(104-63-2)IR1
N-Benzylethanolamine(104-63-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-Benzylethanolamine, 96%(104-63-2)
[Alfa Aesar]

N-Benzylethanolamine, 96%(104-63-2)
[Sigma Aldrich]

104-63-2(sigmaaldrich)
[TCI AMERICA]

N-Benzylethanolamine,>95.0%(GC)(104-63-2)
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