3-Aminopropylphosphonic acid

The 3-Aminopropylphosphonic acid with cas registry number of 13138-33-5, belongs to the following product categories: (1)API intermediates; (2)AgonistsOrganic Building Blocks; (3)GABAergics; (4)Phosphonic/Phosphinic Acids; (5)Phosphorus Compounds; (6)Neurotransmitters. It has the systematic name of (3-aminopropyl)phosphonic acid.

Physical properties about this chemical are: (1)ACD/LogP: -2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.88; (4)ACD/LogD (pH 7.4): -5.13; (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: 4; (12)Polar Surface Area: 48.58 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 29.42 cm³; (15)Molar Volume: 100.8 cm³; (16)Polarizability: 11.66×10^-24cm³; (17)Surface Tension: 64.6 dyne/cm; (18)Enthalpy of Vaporization: 64.49 kJ/mol; (19)Vapour Pressure: 1.31E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by diethyl (3-aminopropyl)phosphonate. This reaction will need reagent HCl. The reaction time is 18 hour(s). The yield is about 89%.

Uses of p-Chloropropiophenone: it can be used to produce (3-guanidino-propyl)-phosphonic acid. This reaction will need reagent aq. KOH. The reaction time is 4 hour(s) with reaction temperature of 60 ℃. The yield is about 80.3%.

When you are using this chemical, please be cautious about it as the following:
The 3-Aminopropylphosphonic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=P(O)(O)CCCN;
(2)InChI: InChI=1/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7);
(3)InChIKey: GSZQTIFGANBTNF-UHFFFAOYAN;
(4)Std. InChI: InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7);
(5)Std. InChIKey: GSZQTIFGANBTNF-UHFFFAOYSA-N