Cas no 18601-90-6 (Thiamine mononitrate)
Thiamine mononitrate structure
Product Name:Thiamine mononitrate
CAS No:18601-90-6
MF:C12H16ClN5O3S
MW:345.805139541626
CID:123072
PubChem ID:21932693
Update Time:2025-04-18
Thiamine mononitrate Chemical and Physical Properties
Names and Identifiers
-
- Thiamine mononitrate
- Thiamin nitrate
- SCHEMBL60970
- 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl nitrate;chloride
- 18601-90-6
-
- Inchi： 1S/C12H16N5O3S.ClH/c1-8-11(3-4-20-17(18)19)21-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1
- InChI Key： LRTNZTWQLAQHBA-UHFFFAOYSA-M
- SMILES： [Cl-].S1C=[N+](CC2=CN=C(C)N=C2N)C(C)=C1CCO[N+](=O)[O-]
Computed Properties
- Exact Mass: 345.0662383g/mol
- Monoisotopic Mass: 345.0662383g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 356
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 139?2
Experimental Properties
- Melting Point: 196-200℃
Thiamine mononitrate Related Literature
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Varsha UshaVipinachandran,Sathish Rajendran,Haydar Ali,Indhumathi Ashokan,Susanta Kumar Bhunia New J. Chem. 2022 46 14081
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F. Said,M. M. Amer,K. N. Girgis,Z. A. George Analyst 1965 90 750
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Krishna K. Verma,Archana Jain,Archana Verma,Anupama Chaurasia Analyst 1991 116 641
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Kunal Sikder,Swaraj Bandhu Kesh,Nilanjan Das,Krishnendu Manna,Sanjit Dey Food Funct. 2014 5 1294
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Kunal Sikder,Swaraj Bandhu Kesh,Nilanjan Das,Krishnendu Manna,Sanjit Dey Food Funct. 2014 5 1294
18601-90-6 (Thiamine mononitrate) Related Products
- 59-43-8(Thiamine)
- 33232-06-3(Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, iodide(1:1))
- 7770-93-6(Thiazolium, 3-[(4-amino-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride)
- 1257525-77-1(Thiamine-[13C4].HCl)
- 67-03-8(Thiamine hydrochloride)
- 532-43-4(Thiamine nitrate)
- 7019-71-8(Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-,bromide (1:1))
- 10485-55-9(Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-ethyl-4-methyl-)
- 70-16-6(Thiamine ion)
- 4175-03-5(Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-,iodide, hydriodide (1:1:1))
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