3-Pyridinemethanol,4-(aminomethyl)-5-hydroxy-6-methyl-, hydrochloride (1:2)

The Pyridoxamine dihydrochloride, with the CAS registry number 524-36-7 and EINECS registry number 208-357-6, has the systematic name of 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol dihydrochloride. And the molecular formula of this chemical is C₈H₁₄Cl₂N₂O₂. It is a kind of white crystalline powder, and belongs to the following product categories: Aromatics Compounds; Pyridinium Compounds; Vitamins and derivatives; Aromatics; Bases & Related Reagents; Nucleotides. What's more, it should be stored at -20°C.

The physical properties of Pyridoxamine dihydrochloride are as following: (1)ACD/LogP: -1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.16; (4)ACD/LogD (pH 7.4): -1.92; (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: 5; (12)Polar Surface Area: 34.59 Å²; (13)Flash Point: 232.1 °C; (14)Enthalpy of Vaporization: 75.94 kJ/mol; (15)Boiling Point: 460.1 °C at 760 mmHg; (16)Vapour Pressure: 2.92E-09 mmHg at 25°C.

Preparation and uses of Pyridoxamine dihydrochloride: The preparation can start from the oxidation of pyridoxine hydrochloride with manganese dioxide. And then after a series of condensation and reduction you can get the desired product. What's more, it is used in the biochemical study and nutrition research.

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: Cl.Cl.Oc1c(c(cnc1C)CO)CN
(2)InChI: InChI=1/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H
(3)InChIKey: HNWCOANXZNKMLR-UHFFFAOYAB

The toxicity data is as follows: