(1-AMINO-1-METHYLETHYL)PHOSPHONIC ACID

The Phosphonic acid,P-(1-amino-1-methylethyl)- with CAS registry number of 5035-79-0 is also known as 1-Amino-1-methylethanephosphonic acid. The IUPAC name is 2-Aminopropan-2-ylphosphonic acid. In addition, the formula is C₃H₁₀NO₃P and the molecular weight is 139.09. This chemical is a white crystalline powder that may cause inflammation to the skin or other mucous membranes. It should be sealed in cool, dry place away from oxidants.

Physical properties about Phosphonic acid,P-(1-amino-1-methylethyl)- are: (1)ACD/LogP: -2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.64; (4)ACD/LogD (pH 7.4): -5.39; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.494; (13)Molar Refractivity: 29.39 cm³; (14)Molar Volume: 100.9 cm³; (15)Surface Tension: 60.2 dyne/cm; (16)Density: 1.377 g/cm³; (17)Flash Point: 135.7 °C; (18)Enthalpy of Vaporization: 59.49 kJ/mol; (19)Boiling Point: 300.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000258 mmHg at 25 °C.

Preparation of Phosphonic acid,P-(1-amino-1-methylethyl)-: it is prepared by oxidation reaction of (1-amino-1-methyl-ethyl)-phosphinic acid. The reaction needs reagents bromine, HCl and solvent H₂O at the temperature of 20 °C for 30 minutes. The yield is about 79%.

Uses of Phosphonic acid,P-(1-amino-1-methylethyl)-: it is used to produce 2-[(2,2-dimethyl-cyclopropanecarbonyl)-amino]-8-(1-methyl-1-phosphono-ethylamino)-oct-2-enoic acid by reaction with 8-bromo-2-[(2,2-dimethyl-cyclopropanecarbonyl)-amino]-oct-2-enoic acid. The reaction occurs with reagent NaOH and solvent H₂O at the temperature of 60 °C for 48 hours. The yield is about 49%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C)(N)P(=O)(O)O
2. InChI: InChI=1S/C3H10NO3P/c1-3(2,4)8(5,6)7/h4H2,1-2H3,(H2,5,6,7)
3. InChIKey: DYGRPJWAYXRMQZ-UHFFFAOYSA-N