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Thiamine chloride

Molecular FormulaC₁₂H₁₇ClN₄OS
Average mass300.808 Da
Monoisotopic mass300.081146 Da
ChemSpider ID5819

- Charge

More details:

Featured data source

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Thiamine chloride

200-425-3 [EINECS]

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumchlorid [German] [ACD/IUPAC Name]

3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride

5-(2-Hydroxyethyl)-3-[(6-imino-2-methyl-1,6-dihydro-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium chloride [ACD/IUPAC Name]

59-43-8 [RN]

Aneurin

Chlorure de 3-[(4-amino-2-méthyl-5-pyrimidinyl)méthyl]-5-(2-hydroxyéthyl)-4-méthyl-1,3-thiazol-3-ium [French] [ACD/IUPAC Name]

Thiamine [Wiki]

thiamine(1+) chloride

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Thiaminium chloride

Thiazolium, 3-[(1,6-dihydro-6-imino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride (1:1) [ACD/Index Name]

thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride

tiamina [Spanish] [INN]

tiamina

Vitamin B1

(6S,12aR)-6-(benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

[59-43-8] [RN]

2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanol chloride

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride

2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride

2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol chloride

2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl}ethan- 1-ol, chloride

2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl}ethan-1-ol, chloride

3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydrox yethyl)-4-methylthiazolium chloride

3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazoline

3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium chloride

3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hy

3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride

3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride

3581326 [Beilstein]

Aneurine [Wiki]

Apatate drape

Aurora ka-7821

B-Amin

Beivon

Betabion

Bethiamin

D08580

EINECS 200-425-3

https://www.ebi.ac.uk/chembl/compound_reportcard/CHEMBL1588/

MFCD00044586 [MDL number]

Oryzanin

Oryzanine

Oryzenin

thiamin [Wiki]

Thiamine (INN)

Thiamine HCl

Thiamine Vitamin B1

Thiamine, chloride

thiaminum

Thiaminum [INN-Latin]

Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl- chloride

Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-chloride

Tiamina [INN-Spanish]

UNII:X66NSO3N35

UNII-X66NSO3N35

Vitamin B1 (TN)

vitaneurin

тиамин [Russian]

ثيامين [Arabic]

硫胺 [Chinese]

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

432 [DBID]

X66NSO3N35 [DBID]

CCRIS 5823 [DBID]

CHEBI:33283 [DBID]

HSDB 220 [DBID]

NSC36226 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  120-122 °C (Decomposes) FooDB FDB008425

Miscellaneous

Appearance:

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:

ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

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Thiamine chloride

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