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| CAS No.: | 61477-40-5 |
|---|---|
| Name: | (R)-3-AMINO-1-BUTANOL |
| Article Data: | 40 |
| Molecular Structure: | |
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| Formula: | C4H11NO |
| Molecular Weight: | 89.1374 |
| Synonyms: | 1-Butanol,3-amino-, (R)-;(3R)-3-Amino-1-butanol; |
| EINECS: | 640-387-9 |
| Density: | 0.927 g/cm3 |
| Boiling Point: | 168.349 °C at 760 mmHg |
| Flash Point: | 55.616 °C |
| PSA: | 46.25000 |
| LogP: | 0.41630 |
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- 61477-40-5
(R)-3-amino-1-butanol
| Conditions | Yield |
|---|---|
| In ethanol at 70 - 80℃; Alkaline conditions; | 97.5% |
- 866395-21-3
(-)-(3R)-3-((benzyloxycarbonyl)amino)butanol
- 61477-40-5
(R)-3-amino-1-butanol
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In ethanol at 50 - 60℃; under 3000.3 - 4500.45 Torr; | 96% |
- 167216-17-3
(-)-tert-butyl [(R)-3-hydroxy-1-methylpropyl]carbamate
- 61477-40-5
(R)-3-amino-1-butanol
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid In dichloromethane at 0 - 10℃; | 95.8% |
| With hydrogenchloride In methanol; water at 25℃; for 6h; Green chemistry; | 90% |
| With hydrogenchloride In methanol at 25℃; | 0.5 g |
- 61477-40-5
(R)-3-amino-1-butanol
| Conditions | Yield |
|---|---|
| With platinum on carbon In ethanol at 60℃; under 15001.5 Torr; for 10h; Reagent/catalyst; | 95.4% |
- 61477-40-5
(R)-3-amino-1-butanol
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol at 20℃; Solvent; Reagent/catalyst; | 95.3% |
| With sodium hydroxide In isopropyl alcohol at 10 - 20℃; for 0.666667h; | 12.9 g |
- 61477-40-5
(R)-3-amino-1-butanol
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetonitrile at 40 - 45℃; Reagent/catalyst; Temperature; | 95% |
- 61477-40-5
(R)-3-amino-1-butanol
| Conditions | Yield |
|---|---|
| In ethanol at 70 - 80℃; Alkaline conditions; | 92.6% |
| With hydrogenchloride In water for 3h; Reflux; | 90% |
- 1236049-43-6
(R)-4-hydroxybutan-2-aminium (S)-2-hydroxy-2-phenylacetate
- 61477-40-5
(R)-3-amino-1-butanol
| Conditions | Yield |
|---|---|
| With triethanolamine; sodium methylate In methanol at 80 - 100℃; under 3.75038 - 562.556 Torr; | 91% |
| With sodium methylate In methanol at 20℃; for 2h; | 35 g |
| With sodium methylate In methanol at 65℃; for 17h; |
- 61477-40-5
(R)-3-amino-1-butanol
| Conditions | Yield |
|---|---|
| With potassium carbonate In methanol at 45 - 50℃; for 12h; | 90% |
- 3775-73-3
(R)-3-aminobutanoic acid
- 61477-40-5
(R)-3-amino-1-butanol
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; trifluoroacetic acid In tetrahydrofuran at 20℃; Reagent/catalyst; Temperature; Solvent; Inert atmosphere; Cooling with ice; | 84.3% |
| With sodium tetrahydroborate; zinc(II) chloride In tetrahydrofuran at 20 - 60℃; for 3.5h; Autoclave; | 54% |
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Specification
This chemical is called 1-Butanol, 3-amino-, (3R)-, and it can also be named as (R)-3-aminobutanol. With the molecular formula of C4H11NO, its molecular weight is 89.14. The CAS registry number of this chemical is 61477-40-5.
Other characteristics of the 1-Butanol, 3-amino-, (3R)- can be summarised as followings: (1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 25.609 cm3; (15)Molar Volume: 96.123 cm3; (16)Polarizability: 10.152×10-24cm3; (17)Surface Tension: 35.387 dyne/cm; (18)Density: 0.927 g/cm3; (19)Flash Point: 55.616 °C; (20)Enthalpy of Vaporization: 47.133 kJ/mol; (21)Boiling Point: 168.349 °C at 760 mmHg; (22)Vapour Pressure: 0.531 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OCC[C@H](N)C
2.InChI: InChI=1/C4H11NO/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3/t4-/m1/s1
3.InChIKey: AGMZSYQMSHMXLT-SCSAIBSYBU