3-Amino-1-propanesulfonic acid

The 1-Propanesulfonic acid,3-amino-, with the CAS registry number 3687-18-1 and EINECS registry number 222-977-4, has the systematic name of 3-aminopropane-1-sulfonic acid. It is a kind of white powder, and should be stored at 0-5°C. And the molecular formula of this chemical is C₃H₉NO₃S. What's more, it is analogous to taurinean, and because of its similarity in structure to the neurotransmitter gamma-aminobutyric acid (GABA), it has GABAergic effects and may be useful as an anticonvulsant.

The physical properties of 1-Propanesulfonic acid,3-amino- are as following: (1)ACD/LogP: -2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.75; (4)ACD/LogD (pH 7.4): -4.75; (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: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 54.99 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 29.9 cm³; (15)Molar Volume: 100.2 cm³; (16)Polarizability: 11.85×10^-24cm³; (17)Surface Tension: 61.2 dyne/cm; (18)Density: 1.387 g/cm³.

Uses of 1-Propanesulfonic acid,3-amino-: It can react with 5-methoxy-3,4-dihydro-2H-pyrrole to produce N-(1'-aza-cyclopenten-2'-yl)-3-aminopropane sulfonic acid. This reaction will need solvent dimethylsulfoxide. The reaction time is 0.5 hours with temperature of 110°C, and the yield is about 82%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting 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=S(=O)(O)CCCN
(2)InChI: InChI=1/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)
(3)InChIKey: SNKZJIOFVMKAOJ-UHFFFAOYAT