CAS No.104-63-2,N-Benzylethanolamine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	104-63-2
Name:	N-Benzylethanolamine
Article Data:	78

Formula:	C₉H₁₃NO
Molecular Weight:	151.208
Synonyms:	Ethanol,2-(benzylamino)- (6CI,7CI,8CI);2-(Benzylamino)ethanol;2-(N-Benzylamino)ethanol;2-[(Phenylmethyl)amino]ethanol;Benzyl(2-hydroxyethyl)amine;Benzylaminoethanol;Benzylethanolamine;N-(2-Hydroxyethyl)benzenemethanamine;N-(2-Hydroxyethyl)benzylamine;N-Benzyl-2-aminoethanol;N-Benzyl-2-hydroxyethylamine;N-Benzylaminoethanol;NSC11271;NSC 177008;NSC 60267;
EINECS:	203-221-2
Density:	1.065 g/cm³
Melting Point:	-30℃
Boiling Point:	285.1 °C at 760 mmHg
Flash Point:	131.8 °C
Solubility:	Miscible with water
Appearance:	light yellow viscid transparent liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	23-24/25
PSA:	32.26000
LogP:	1.15940

Synthetic route

: 100-52-7
benzaldehyde

: 141-43-5
ethanolamine

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
Stage #1: benzaldehyde; ethanolamine In methanol at 20℃; for 0.25h; Stage #2: With methanol; sodium tetrahydroborate at 0 - 20℃;	100%
With copper chromium spinel oxide; hydrogen; barium(II) oxide at 130℃; under 37503 Torr; for 1h;	97.8%
Stage #1: benzaldehyde; ethanolamine With magnesium sulfate In methanol at 20℃; for 18h; Stage #2: With sodium tetrahydroborate In methanol at 0 - 20℃; for 1h;	95%

: 154582-42-0
[benzyl-(2-hydroxyethyl)-amino]-acetonitrile

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With hydrogen; platinum(IV) oxide In ethanol	98%

: trimethyl [2-(benzylamino)ethoxy]silane

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0666667h; Green chemistry;	97%

: 7127-19-7
2-phenyl-1,3-oxazoline

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With diborane In tetrahydrofuran for 5h; Heating;	96%
With lithium aluminium tetrahydride In diethyl ether

: 770-37-6
2-(N-benzylidenamino)ethanol

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With sodium cyanoborohydride In methanol at 20℃; for 12h; Inert atmosphere; Cooling with ice;	94%
With hydrogen; palladium on activated charcoal Yield given;
With sodium tetrahydroborate In methanol at 5 - 20℃;

: 2510-33-0
N-benzyl-2-oxazolidinone

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With Dowex 1*8-100 resin (hydroxide form) In tetrahydrofuran; methanol at 20℃; for 18h;	94%

: 237769-03-8
2-oxo-3-phenylmethyl-1,2,3-oxathiazolidine

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With thiophenol In methanol at 20℃; for 0.5h;	84%

: 100-44-7
benzyl chloride

: 141-43-5
ethanolamine

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 1h; Heating;	80%

: C12H17NO3

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol at 20℃; for 1h;	80%

: 1375855-50-7
C9H11NO

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With sodium tetrahydroborate In methanol at 0℃; for 3h; Inert atmosphere; Reflux;	79%

Raw Materials

100-44-7

71-41-0

100-52-7

1205-08-9

64-17-5

75-21-8

100-39-0

Downstream Products

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Specification

The Ethanol,2-[(phenylmethyl)amino]-, with CAS registry number 104-63-2, belongs to the following product category: Hydroxyethylamines. It has the systematic name of 2-(benzylamino)ethanol. This chemical is a kind of clear colorless to light yellow liquid. What's more, its EINECS is 203-221-2.

Physical properties of Ethanol,2-[(phenylmethyl)amino]-: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.79; (4)ACD/LogD (pH 7.4): -0.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.38; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 45.56 cm³; (15)Molar Volume: 145 cm³; (16)Polarizability: 18.06×10^-24cm³; (17)Surface Tension: 41.5 dyne/cm; (18)Enthalpy of Vaporization: 55.35 kJ/mol; (19)Vapour Pressure: 0.00134 mmHg at 25°C.

Uses of Ethanol,2-[(phenylmethyl)amino]-: it can be used to produce benzylamine and N-benzyl-formamide. This reaction will need reagent sodium metaperiodate and solvent H₂O, methanol. The reaction time is 4 hour(s). The yield is about 61%.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. When use it, do not breathe vapour and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCNCc1ccccc1
(2)InChI: InChI=1/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
(3)InChIKey: XNIOWJUQPMKCIJ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
(5)Std. InChIKey: XNIOWJUQPMKCIJ-UHFFFAOYSA-N