N-(TERT-BUTYL)HYDROXYLAMINE HYDROCHLORIDE

The 2-Propanamine,N-hydroxy-2-methyl-, hydrochloride (1:1), with the CAS registry number 57497-39-9, is also known as N-Hydroxy-2-methylpropan-2-amine hydrochloride (1:1). It belongs to the product categories of Hydroxylamines; Hydroxylamines (N-Substituted); Nitrogen Compounds; Organic Building Blocks. Its EINECS number is 260-771-6. This chemical's molecular formula is C₄H₁₂ClNO and molecular weight is 125.60. What's more, its systematic name is N-(tert-Butyl)hydroxylamine hydrochloride.

Physical properties of 2-Propanamine,N-hydroxy-2-methyl-, hydrochloride (1:1) are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.46; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.84; (7)ACD/KOC (pH 5.5): 3.71; (8)ACD/KOC (pH 7.4): 51.12; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å²; (13)Flash Point: 43.6 °C; (14)Enthalpy of Vaporization: 41.84 kJ/mol; (15)Boiling Point: 120.9 °C at 760 mmHg; (16)Vapour Pressure: 7.19 mmHg at 25°C.

Uses of 2-Propanamine,N-hydroxy-2-methyl-, hydrochloride (1:1): it can be used to produce 2-tert-butyl-3-ethoxycarbonylmethyl-3,4-dimethyl-2,3-dihydro-isoxazole-5-carboxylic acid ethyl ester at the temperature of 80°C. It will need reagent 10 percent aq. NaOH  and solvent benzene with the reaction time of 18 hours. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin, so do not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

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