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CAS No.: | 622-30-0 |
---|---|
Name: | N-BENZYLHYDROXYLAMINE HYDROCHLORIDE |
Article Data: | 85 |
Molecular Structure: | |
Formula: | C7H9NO |
Molecular Weight: | 123.155 |
Synonyms: | Hydroxylamine,N-benzyl- (6CI,7CI,8CI);Benzylhydroxylamine;N-Benzylhydroxylamine;N-Hydroxybenzylamine;O-Benzylhydroxyamine; |
Density: | 1.098g/cm3 |
Melting Point: |
~105 °C |
Boiling Point: | 253.9 °C at 760 mmHg |
Flash Point: | 135.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 32.26000 |
LogP: | 1.55630 |
Conditions | Yield |
---|---|
With K12(Ga4(1,5-bis(2,3-dihydroxybenzamido)naphthalene))6; potassium phosphate; borane pyridine In water-d2 at 20℃; for 22h; Reagent/catalyst; Inert atmosphere; Sealed tube; | 100% |
With Benzyltriethylammonium borohydride for 0.133333h; solid-phase conditions; | 95% |
With sodium cyanoborohydride at 20℃; | 80% |
N-benzylhydroxylamine hydrochloride
N-benzyl hydroxylalmine
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In water | 100% |
With sodium hydrogencarbonate In methanol for 0.25h; | |
With 4-methyl-morpholine In dichloromethane Schlenk technique; Inert atmosphere; |
syn-benzaldehyde oxime
N-benzyl hydroxylalmine
Conditions | Yield |
---|---|
With sodium cyanoborohydride; acetyl chloride In methanol at 0℃; | 94% |
With hydrogenchloride; sodium cyanoborohydride In methanol at 25℃; for 4h; | 87% |
With hydrogenchloride; sodium cyanoborohydride In methanol pH=3; | 61% |
With hydrogenchloride; sodium cyanoborohydride In methanol at 20℃; for 3h; | 49% |
Conditions | Yield |
---|---|
With hydrogenchloride; sodium cyanoborohydride In methanol at 25℃; for 3.5h; Reduction; | 94% |
Conditions | Yield |
---|---|
With 4a-FlEt-OOH In 1,4-dioxane at 30℃; Rate constant; | A n/a B 90% |
ethyl 2-benzyl-2,5-dihydro-3-methyl-5-oxoisoxazole-4-carboxylate
N-benzyl hydroxylalmine
Conditions | Yield |
---|---|
With hydrogenchloride; acetic acid In water | 81% |
Conditions | Yield |
---|---|
With hydrogenchloride steam destillation; | 79% |
With sulfuric acid In water for 4h; Heating; | 71% |
With hydrogenchloride In water for 1h; Reflux; |
Conditions | Yield |
---|---|
With hydroxylamine monohydrate In methanol at 100℃; under 18100.7 Torr; for 0.166667h; Flow reactor; chemoselective reaction; | 76% |
Conditions | Yield |
---|---|
With hydroxylamine monohydrate In methanol at 100℃; under 18100.7 Torr; for 0.166667h; Flow reactor; chemoselective reaction; | 65% |
With hydroxylamine hydrochloride; triethylamine In water; dimethyl sulfoxide at 100℃; for 1h; | 38% |
(2S)-3-(tert-butyl-dimethyl-silyloxy)-2-methyl-propanal
A
N-benzyl hydroxylalmine
B
(R)-(-)-N-(3-t-butyldimethylsilyloxy-2-methylpropylidene)benzylamine N-oxide
Conditions | Yield |
---|---|
With calcium chloride In argon | A n/a B 64% |
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The N-Benzylhydroxylamine, with the cas registry number 622-30-0, has the systematic name of N-hydroxy-1-phenylmethanamine. It belongs to the category of Polyamines. And the molecular formula of the chemical is C7H9NO.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 4.76; (6)ACD/BCF (pH 7.4): 5.73; (7)ACD/KOC (pH 5.5): 100.69; (8)ACD/KOC (pH 7.4): 121.38; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 36.29 cm3; (15)Molar Volume: 112 cm3; (16)Polarizability: 14.39×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.098 g/cm3; (19)Flash Point: 135.2 °C ; (20)Enthalpy of Vaporization: 51.91 kJ/mol; (21)Boiling Point: 253.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00923 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to the skin eyes and respiratory system. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ONCc1ccccc1
(2)InChI: InChI=1/C7H9NO/c9-8-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2
(3)InChIKey: LVCDXCQFSONNDO-UHFFFAOYAD