Phosphonic acid,P-(1-aminoethyl)- (6323-97-3)

The DL-1-(Aminoethyl)phosphonic acid with the cas number 6323-97-3 is also called Phosphonic acid,P-(1-aminoethyl)-. The IUPAC name is 1-aminoethylphosphonic acid. Its molecular formula is C₂H₈NO₃P. It is white crystalline powder.

The properties of the chemical are: (1)ACD/LogP: -2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5; (4)ACD/LogD (pH 7.4): -5.76; (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)Polar Surface Area: 48.58 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 24.75 cm³; (15)Molar Volume: 84.7 cm³; (16)Polarizability: 9.81×10^-24cm³; (17)Surface Tension: 68.3 dyne/cm; (18)Enthalpy of Vaporization: 61.66 kJ/mol; (19)Vapour Pressure: 7.2×10^-5 mmHg at 25°C.

Preparation: This chemical can be prepared by (1-amino-ethyl)-phosphonic acid diethyl ester. This reaction needs reagent aqueous hydrochloric acid.

Uses: This chemical can react with phthalic acid anhydride to product (1-phthalimido-ethyl)-phosphonic acid. The reaction needs the temperature of  180-200°C. The yield is 78.6%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. you should avoid this chemical contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)C(N)C
(2)InChI: InChI=1/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)
(3)InChIKey: UIQSKEDQPSEGAU-UHFFFAOYAR