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Thiamine nitrate | 532-43-4

Product name:Thiamine nitrate

CAS No:532-43-4
MF:C12H17N5O4S
MW:327.3595
MDL:MFCD00036330
CID:38081
PubChem ID:87576175
Introduction
Thiamine nitrate is an essential vitamin that can enhance normal neuronal activity
Names and Identifiers
  • thiamine nitrate
  • BETABION NITRATE
  • ANEURINE MONONITRATE
  • ANEURINE NITRATE
  • 3-(4-AMINO-2-METHYLPYRIMIDYL-5-METHYL)-4-METHYL-5-(B-HYDROXYETHYL)THIAZOLIUM CHLORIDE MONONITRATE
  • 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium nitrate
  • THIAMINE MONONITRATE
  • VITAMIN B1 MONONITRATE
  • THIAMINE MONONITRATE CRYSTALLINE
  • Thiamine nitratel
  • Vitamin B1 nitrate
  • mnitrate
  • TetraethylaMMoniuM iodide
  • Thaimenitrate
  • Thiamin mononitrate
  • thiamin nitrate
  • Thiamine nitrate,Vitamin B1 nitrate
  • thiaminium nitrate
  • Thiaminnitrat
  • VitaMin B1 HNO3
  • Vitamin B1 Mono
  • Vitanon
  • Betabion mononitrate
  • Thiamine nitrate (salt)
  • Vitamin B(sub 1) nitrate
  • Thiamine mononitrate [USP]
  • 8K0I04919X
  • Thiamine mononitrate (USP)
  • 3-(4-Amino-2-methylpyrimidyl-5-methyl)-4-methyl-5,beta-hydroxyethylthiazolium nitrate
  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium nitrate
  • Thiazolium, 3-((4
  • Thiamine nitrate
  • Thiamine nitrate - reference spectrum
  • MDL:MFCD00036330
  • InChIKey:UIERGBJEBXXIGO-UHFFFAOYSA-N
  • Inchi:1S/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1
  • SMILES:S1C([H])=[N+](C([H])([H])C2=C([H])N=C(C([H])([H])[H])N=C2N([H])[H])C(C([H])([H])[H])=C1C([H])([H])C([H])([H])O[H].[O-][N+](=O)[O-]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 327.10000
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Rotatable Bond Count: 4
  • Monoisotopic Mass: 327.100125
  • Heavy Atom Count: 22
  • Complexity: 287
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 2
  • XLogP3: nothing
  • Tautomer Count: 3
  • Surface Charge: 0
  • Topological Polar Surface Area: 167

Experimental Properties

  • LogP: 1.47300
  • PSA: 173.03000
  • Merck: 9295
  • Boiling Point: No data available
  • Melting Point: 196-200 ºC
  • Vapor Pressure: No data available
  • Flash Point: No data available
  • FEMA: 3025
  • Color/Form: White acicular crystals or crystalline powders
  • Stability/Shelf Life: Stable. Incompatible with strong oxidizing agents.
  • Solubility: Very soluble in water, slightly soluble in ethanol, insoluble in ether, benzene, chloroform and acetone
  • pka: 4.8(at 25℃)
Security Information
  • RTECS:XI7400000
  • WGK Germany:1
  • Safety Term:S22-S24/25
  • Safety Instruction:S22-S24/25
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Statement:H303 may be harmful by ingestion +h313 may be harmful by skin contact +h333 may be harmful by inhalation
  • Warning Statement:P264Thoroughly clean after treatment+P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask+P305If it enters the eyes+P351Rinse carefully with water for a few minutes+P338Remove the contact lens(If any)And easy to operate,Continue flushing+P337If eye irritation persists+P313Obtain medical advice/care
  • Storage Condition:4°C, protect from light
  • Signal Word:warning
  • TSCA:Yes
Customs Data
  • HS CODE:2934100090
  • Customs Data:

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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