AG003QXR

51-74-1 | Histamine diphosphate monohydrate

AG003QXR

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CAS Number	51-74-1
Catalog Number	AG003QXR(AGN-PC-0OBK4A)
Chemical Name	Histamine diphosphate monohydrate
EC Number	200-118-4
IUPAC Name	2-(1H-imidazol-5-yl)ethanamine;phosphoric acid
InChI	InChI=1S/C5H9N3.2H3O4P/c6-2-1-5-3-7-4-8-5;2*1-5(2,3)4/h3-4H,1-2,6H2,(H,7,8);2*(H3,1,2,3,4)
InChI Key	ZHIBQGJKHVBLJJ-UHFFFAOYSA-N
MDL Number	MFCD00150816
Molecular Formula	C5H15N3O8P2
Molecular Weight	307.1354
SMILES	NCCC1=CNC=N1.O=P(O)(O)O.O=P(O)(O)O
UNII	QWB37T4WZZ
Synonyms	histamine acid phosphate, histamine diphosphate, histamine phosphate, Histamine diphosphate, 51-74-1, Histamine acid phosphate, 2-(1H-imidazol-4-yl)ethanamine bis(phosphate), Histamine biphosphate, Histamine dihydrogen phosphate, 1H-Imidazole-4-ethanamine, phosphate (1:2), Histamine phosphate (1:2), Histamine (phosphate), Histamine phosphate [USP], 4-(2-Aminoethyl)imidazole bis(dihydrogen phosphate), 4-(2-Aminoethyl)imidazole di-acid phosphate, UNII-QWB37T4WZZ, QWB37T4WZZ, Histamine phosphate (USP), EINECS 200-118-4, 2-Imidazol-4-ylethylamine orthophosphoric acid (1:2), AK161792, W-105870, Histamine positive, 2-(1H-imidazol-4-yl)ethanamine;phosphoric acid, Histamine phosphate (TN), histamine-phosphate, bis(phosphoric acid), Histamine Phosphate,(S), 4-2(2-Aminoethyl)Imidazole-Di-Acid Phosphate, Histamine diphosphate, 98%, SCHEMBL123245, AC1L23E4, histamine; bis(phosphoric acid), C5H9N3.2H3O4P, CHEMBL3989520, DTXSID7058759, CHEBI:51193, HY-A0129, 2462AH, MFCD00064316, s4117, AKOS024462523, API0002920, CS-5789, ACM23297930, KS-000010L9, 2-(4-Imidazolyl) ethylamine diphosphate, AC-24100, CC-29367, LS-78569, AX8133581, FT-0631226, ST24039078, D04445, 1H-imidazole-5-ethanamine; bis(phosphoric acid), C-25550, HDP, Histamine phosphate, histamine, HISTAMINEDIPHOSPHATE, D0EN0G, C5H9N3, Histamine bisphosphate monohydrate, CID65513, 2-(1H-imidazol-5-yl)ethan-1-amine, H0147, 2-(1H-imidazol-5-yl)ethanamine; phosphoric acid, C027556, 23297-93-0, Histamine diphosphate hydrate, 98%, a histamine H1/H2 receptor agonist - 1G 1g, HAP,

Complexity	115
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	307.033g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	307.136g/mol
Monoisotopic Mass	307.033g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	210A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H317-H318-H334-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3259

Certificate of Analysis

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