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| CAS No.: | 104-63-2 |
|---|---|
| Name: | N-Benzylethanolamine |
| Article Data: | 78 |
| Molecular Structure: | |
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| 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
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| Risk Codes: | 36/37/38 |
| Safety: | 23-24/25 |
| PSA: | 32.26000 |
| LogP: | 1.15940 |
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| 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 | Yield |
|---|---|
| With hydrogen; platinum(IV) oxide In ethanol | 98% |
- 104-63-2
N-Benzylethanolamine
| Conditions | Yield |
|---|---|
| With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0666667h; Green chemistry; | 97% |
| Conditions | Yield |
|---|---|
| With diborane In tetrahydrofuran for 5h; Heating; | 96% |
| With lithium aluminium tetrahydride In diethyl ether |
| 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℃; |
| 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 | Yield |
|---|---|
| With thiophenol In methanol at 20℃; for 0.5h; | 84% |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide for 1h; Heating; | 80% |
- 104-63-2
N-Benzylethanolamine
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In ethanol at 20℃; for 1h; | 80% |
- 1375855-50-7
C9H11NO
- 104-63-2
N-Benzylethanolamine
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In methanol at 0℃; for 3h; Inert atmosphere; Reflux; | 79% |
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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%.
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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