O-Allylhydroxylamine Hydrochloride

The CAS registry number of Hydroxylamine,O-2-propenyl-, hydrochloride (9Cl) is 38945-21-0. Its EINECS registry number is 254-203-6. The IUPAC name is O-prop-2-enylhydroxylamine hydrochloride. In addition, the molecular formula is C₃H₇NO.ClH and the molecular weight is 109.55. It belongs to the class of Hydroxylamines.

Physical properties about this chemical are: (1)ACD/LogP: 0.60; (2)ACD/LogD (pH 5.5): 0.31; (3)ACD/LogD (pH 7.4): 0.59; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.66; (6)ACD/KOC (pH 5.5): 25.86; (7)ACD/KOC (pH 7.4): 49.84; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 12.47 Å²; (12)Flash Point: 38.7 °C; (13)Enthalpy of Vaporization: 36.11 kJ/mol; (14)Boiling Point: 123.2 °C at 760 mmHg; (15)Vapour Pressure: 13.5 mmHg at 25°C.

Preparation of Hydroxylamine,O-2-propenyl-, hydrochloride (9Cl): it can be prepared by O-allyl-N-benzoyl-hydroxylamine. This reaction will need reagent HCl and solvent ethanol. The yield is about 80% by heating.

Uses of Hydroxylamine,O-2-propenyl-, hydrochloride (9Cl): it can react with diketene to get N-allyloxy-3-oxo-butyramide. This reaction will need reagent NEt₃ and solvents toluene and methanol. The reaction time is 30 minutes at reaction temperature of 0-5 °C. The yield is about 76%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Whenever you will contact it, please wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(N)C\C=C
(2)InChI: InChI=1/C3H7NO.ClH/c1-2-3-5-4;/h2H,1,3-4H2;1H
(3)InChIKey: XIQUJVRFXPBMHS-UHFFFAOYAQ