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| CAS No.: | 73285-50-4 |
|---|---|
| Name: | Deoxynojirimycin hydrochloride |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C6H13NO4.HCl |
| Molecular Weight: | 199.634 |
| 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; |
| Density: | 1.456 g/cm3 |
| Melting Point: | 195-196 °C |
| Boiling Point: | 382.7 °C at 760 mmHg |
| Flash Point: | 185.2 °C |
| Solubility: | Soluble in water at 20mg/ml |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/38 |
| Safety: | 22-24/25 |
| PSA: | 92.95000 |
| LogP: | -1.83600 |
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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