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N-tert-Butylhydroxylamine

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Name

N-tert-Butylhydroxylamine

EINECS 260-771-6
CAS No. 16649-50-6 Density 0.883 g/cm3
PSA 32.26000 LogP 1.15460
Solubility N/A Melting Point 64℃
Formula C4H11NO Boiling Point 120.922 °C at 760 mmHg
Molecular Weight 89.1374 Flash Point 43.614 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 16649-50-6 (N-tert-butylhydroxylamine) Hazard Symbols N/A
Synonyms

Hydroxylamine,N-tert-butyl- (6CI,8CI);2-Hydroxylamino-2-methylpropane;N-Hydroxy-tert-butylamine;N-t-Butylhydroxylamine;N-tert-Butylhydroxylamine;NSC 150349;NSC 239719;tert-Butylhydroxylamine;

Article Data 43

N-tert-Butylhydroxylamine Synthetic route

594-70-7

2-Methyl-2-nitropropane

16649-50-6

N-tert-Butylhydroxylamine

Conditions
ConditionsYield
With acetic acid; zinc In ethanol at 10 - 20℃; for 3h;100%
With ammonia borane; gold on titanium oxide In ethanol at 20℃; for 0.666667h; Inert atmosphere;85%
Reduction;82%
78661-66-2, 78661-76-4, 131229-52-2

(Z)-1-(1,1-dimethylathyl)-2-phthalimido-diazen-1-oxid

16649-50-6

N-tert-Butylhydroxylamine

Conditions
ConditionsYield
With hydrazine hydrate at 5℃;95%
75-64-9

tert-butylamine

16649-50-6

N-tert-Butylhydroxylamine

Conditions
ConditionsYield
With urea hydrogen peroxide adduct In diethyl ether at 20℃; for 1h; Catalytic behavior; Inert atmosphere;85%
With urea hydrogen peroxide adduct; sodium tungstate In diethyl ether at 20℃; for 6h;80%
121-32-4

4-hydroxy-3-ethoxybenzaldehyde

638-45-9

1-Iodohexane

A

223649-89-6

α-(3-ethoxy-4-hexyloxyphenyl)-N-tert-butylnitrone

B

16649-50-6

N-tert-Butylhydroxylamine

Conditions
ConditionsYield
With sodium hydroxide In ethanol; ethyl acetateA 57.2%
B n/a
60-29-7

diethyl ether

109-95-5

ethyl nitrite

677-22-5

tert-butylmagnesium chloride

A

16649-50-6

N-tert-Butylhydroxylamine

B

10531-39-2

N,N-di-tert-butylhydroxylamine

C

75005-93-5

N-nitroso-N-tert-butylhydroxylamine

Conditions
ConditionsYield
at -30℃;
49680-37-7, 103202-91-1, 103202-96-6

2-tert-butyl-3-methoxy-oxaziridine

16649-50-6

N-tert-Butylhydroxylamine

Conditions
ConditionsYield
(i) TsOH, CH2Cl2, H2O, benzene, (ii) NaOH; Multistep reaction;
677-22-5

tert-butylmagnesium chloride

16649-50-6

N-tert-Butylhydroxylamine

Conditions
ConditionsYield
With nitrosylchloride In diethyl ether
3376-24-7, 52392-70-8, 85225-53-2

(Z)-N-benzylidene-2-methylpropan-2-amine oxide

A

16649-50-6

N-tert-Butylhydroxylamine

B

100-52-7

benzaldehyde

Conditions
ConditionsYield
With water at 25℃; Rate constant; hydrolysis;
3376-24-7

N-tert-butyl-α-phenylnitrone

A

16649-50-6

N-tert-Butylhydroxylamine

B

100-52-7

benzaldehyde

Conditions
ConditionsYield
With hydrogenchloride In water at 25℃; Rate constant; in presence of NaCl, n-butylammonium chloride, didodecyldimethylammonium chloride (DdDMAC), dodecylammonium chloride (DdAC); effect of colloidal phase;
With dodecylammonium chloride In hydrogenchloride at 25℃; Rate constant; pH = 1;
With water; sodium hydroxide pH=10 - 12; Kinetics; Reagent/catalyst; pH-value;
40117-29-1, 127895-99-2

N-<(4-Methylphenyl)methylene>-2-methyl-2-propanamine N-oxide

A

16649-50-6

N-tert-Butylhydroxylamine

B

104-87-0

4-methyl-benzaldehyde

Conditions
ConditionsYield
With water at 25℃; Rate constant; hydrolysis;

N-tert-Butylhydroxylamine Specification

The N-tert-Butylhydroxylamine, with the CAS registry number 16649-50-6, is also known as 2-Hydroxylamino-2-methylpropane. This chemical's molecular formula is C4H11NO and molecular weight is 89.14. What's more, its systematic name is N-Hydroxy-2-methyl-2-propanamine.

Physical properties of N-tert-Butylhydroxylamine are: (1)ACD/LogP: 0.885; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.33; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 2.31; (7)ACD/KOC (pH 5.5): 4.37; (8)ACD/KOC (pH 7.4): 60.28; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 25.676 cm3; (15)Molar Volume: 100.933 cm3; (16)Polarizability: 10.179×10-24cm3; (17)Surface Tension: 27.5 dyne/cm; (18)Density: 0.883 g/cm3; (19)Flash Point: 43.614 °C; (20)Enthalpy of Vaporization: 41.841 kJ/mol; (21)Boiling Point: 120.922 °C at 760 mmHg; (22)Vapour Pressure: 7.2 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ONC(C)(C)C
(2)Std. InChI: InChI=1S/C4H11NO/c1-4(2,3)5-6/h5-6H,1-3H3
(3)Std. InChIKey: XWESXZZECGOXDQ-UHFFFAOYSA-N 

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