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| CAS No.: | 2854-16-2 |
|---|---|
| Name: | 1-Amino-2-methylpropan-2-ol |
| Article Data: | 51 |
| Molecular Structure: | |
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|
|
| Formula: | C4H11NO |
| Molecular Weight: | 89.1374 |
| Synonyms: | 1,1-Dimethylethanolamine;2-Amino-a,a-dimethylethanol;2-Hydroxy-2-methyl-1-propylamine;2-Hydroxyisobutylamine;2-Methyl-2-hydroxypropylamine;3-Amino-2-methyl-2-propanol;NSC 17697;1-amino-2-methylpropan-2-ol;2-Aminodimethylethanol; |
| Density: | 0.93 g/cm3 |
| Melting Point: | 8.72°C (estimate) |
| Boiling Point: | 167.2 °C at 760 mmHg |
| Flash Point: | 54.9 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-39 |
| PSA: | 46.25000 |
| LogP: | 0.41630 |
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- 344868-41-3
1-dibenzylamino-2-methyl-propan-2-ol
- 2854-16-2
1-Amino-2-methyl-propan-2-ol
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 24h; | 99% |
| Conditions | Yield |
|---|---|
| Stage #1: 3-Hydroxy-3-methylbutyric acid With 4-methyl-morpholine; diphenyl phosphoryl azide In tetrahydrofuran at 25℃; for 2.25h; Curtius Rearrangement; Stage #2: With water In tetrahydrofuran for 2h; Reagent/catalyst; Reflux; | 85% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-hydroxy-2-methylpropanenitrile With lithium aluminium tetrahydride In diethyl ether at 0 - 20℃; for 23h; Inert atmosphere; Stage #2: With Glauber's salt at 0 - 20℃; for 8h; Inert atmosphere; | 81% |
| Stage #1: 2-hydroxy-2-methylpropanenitrile With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 4.25h; Reflux; Stage #2: With potassium fluoride; Glauber's salt In tetrahydrofuran at 0 - 35℃; | 56% |
| With lithium aluminium tetrahydride | 51.5% |
| Conditions | Yield |
|---|---|
| With ammonia In methanol | 67.9% |
| Stage #1: 2-methyl-1,2-epoxypropane With triethylamine; benzylamine In water at 20℃; Stage #2: With 5% Pd(II)/C(eggshell); hydrogen In methanol at 20℃; for 1.5h; | 62% |
| With ammonia; water at 120℃; for 0.5h; Microwave irradiation; | 44% |
- 73825-96-4
1-(ethylamino)-2-methylpropan-2-ol
A
- 75-04-7
ethylamine
B
- 2854-16-2
1-Amino-2-methyl-propan-2-ol
C
- 75-07-0
acetaldehyde
D
- 67-64-1
acetone
| Conditions | Yield |
|---|---|
| With water at 25℃; anodic oxidation, pH 10, carbonate buffer; Further byproducts given; | A 35% B 18% C 34% D 43% |
- 73825-96-4
1-(ethylamino)-2-methylpropan-2-ol
A
- 50-00-0
formaldehyd
B
- 75-04-7
ethylamine
C
- 2854-16-2
1-Amino-2-methyl-propan-2-ol
D
- 75-07-0
acetaldehyde
E
- 67-64-1
acetone
| Conditions | Yield |
|---|---|
| With water at 25℃; Product distribution; Mechanism; anodic oxidation, carbonate buffer, pH 10; effect of substituents investigated with different types of β-alkanolamines; | A 18% B 35% C 18% D 34% E 43% |
- 558-30-5
2-methyl-1,2-epoxypropane
A
- 79365-81-4
1,1,5,5-tetramethyl-3-azapentane-1,5-diol
B
- 2854-16-2
1-Amino-2-methyl-propan-2-ol
| Conditions | Yield |
|---|---|
| With ammonium hydroxide at 100℃; for 15h; sealed vial; | A 40% B n/a |
- 14352-53-5
2-hydroxy-2-methyl-propionaldehyde oxime
- 2854-16-2
1-Amino-2-methyl-propan-2-ol
| Conditions | Yield |
|---|---|
| With ethanol; nickel at 100℃; under 58840.6 Torr; | |
| With hydrogen; nickel In methanol |
- 2854-16-2
1-Amino-2-methyl-propan-2-ol
| Conditions | Yield |
|---|---|
| With ethanol; platinum Hydrogenation; |
| Conditions | Yield |
|---|---|
| With diethyl ether |
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Specification
The 2-Propanol,1-amino-2-methyl-, with the CAS registry number 2854-16-2, has the systematic name and IUPAC name of 1-amino-2-methylpropan-2-ol. It is a kind of irritant chemical, and belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C4H11NO.
The physical properties of 2-Propanol,1-amino-2-methyl- are as followings: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.69; (4)ACD/LogD (pH 7.4): -2.97; (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: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 25.61 cm3; (15)Molar Volume: 95.7 cm3; (16)Polarizability: 10.15×10-24cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 0.93 g/cm3; (19)Flash Point: 54.9 °C; (20)Enthalpy of Vaporization: 47.01 kJ/mol; (21)Boiling Point: 167.2 °C at 760 mmHg; (22)Vapour Pressure: 0.566 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)(C)CN
(2)InChI: InChI=1/C4H11NO/c1-4(2,6)3-5/h6H,3,5H2,1-2H3
(3)InChIKey: LXQMHOKEXZETKB-UHFFFAOYAA
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LCLo | inhalation | 1095ppm/18H (1095ppm) | Shell Chemical Company. Unpublished Report. Vol. -, Pg. 1, 1961. | |
| mouse | LD50 | oral | 2450mg/kg (2450mg/kg) | Shell Chemical Company. Unpublished Report. Vol. -, Pg. 1, 1961. | |
| rabbit | LDLo | skin | 1960mg/kg (1960mg/kg) | Shell Chemical Company. Unpublished Report. Vol. -, Pg. 1, 1961. | |
| rat | LDLo | oral | 3gm/kg (3000mg/kg) | Shell Chemical Company. Unpublished Report. Vol. -, Pg. 1, 1961. |