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Deoxynojirimycin hydrochloride

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Name

Deoxynojirimycin hydrochloride

EINECS N/A
CAS No. 73285-50-4 Density 1.456 g/cm3
PSA 92.95000 LogP -1.83600
Solubility Soluble in water at 20mg/ml Melting Point 195-196 °C
Formula C6H13NO4.HCl Boiling Point 382.7 °C at 760 mmHg
Molecular Weight 199.634 Flash Point 185.2 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes 36/38
Molecular Structure Molecular Structure of 73285-50-4 (Deoxynojirimycin hydrochloride) Hazard Symbols IrritantXi
Synonyms

3,4,5-Piperidinetriol,2-(hydroxymethyl)-, hydrochloride, (2R,3R,4R,5S)- (9CI);3,4,5-Piperidinetriol,2-(hydroxymethyl)-, hydrochloride, [2R-(2a,3b,4a,5b)]-;(+)-1-Deoxynojirimycin hydrochloride;1-Deoxynojirimycin hydrochloride;AT 2220;Duvoglustat hydrochloride;Moranoline hydrochloride;

Article Data 1

Deoxynojirimycin hydrochloride Specification

The Deoxynojirimycin hydrochloride, with the CAS registry number 73285-50-4, has the systematic name of (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol hydrochloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H13NO4.HCl. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Deoxynojirimycin hydrochloride are as followings: (1)# of Rule of 5 Violations: 1 ; (2)#H bond acceptors: 5; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 92.95 Å2; (6)Flash Point: 185.2 °C; (7)Enthalpy of Vaporization: 73 kJ/mol; (8)Boiling Point: 382.7 °C at 760 mmHg; (9)Vapour Pressure: 1.98E-07 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.O[C@@H]1[C@@H](CO)NC[C@H](O)[C@H]1O
(2)InChI: InChI=1/C6H13NO4.ClH/c8-2-3-5(10)6(11)4(9)1-7-3;/h3-11H,1-2H2;1H/t3-,4+,5-,6-;/m1./s1
(3)InChIKey: ZJIHMALTJRDNQI-VFQQELCFBL

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