N-METHYL-p-[2-(5-NITRO-1-VINYLIMIDAZOL-2-YL)VINYL]BENZAMIDINE, MONOHYDROCHLORIDE, HEMIHYDRATE

SpectraBase Compound ID	LFoVRHcMImD
InChI	InChI=1S/2C15H15N5O2.2ClH.H2O/c21-3-19-13(18-10-14(19)20(21)22)9-6-11-4-7-12(8-5-11)15(16)17-2;;;/h23-10H,1H2,2H3,(H2,16,17);2*1H;1H2
InChIKey	YYUZBQLDLAMGSG-UHFFFAOYSA-N Google Search
Mol Weight	342.786 g/mol
Molecular Formula	C15H16ClN5O2·½H2O
Exact Mass	342.104535 g/mol

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SpectraBase Spectrum ID	ENaTetBZq14
Name	N-METHYL-p-[2-(5-NITRO-1-VINYLIMIDAZOL-2-YL)VINYL]BENZAMIDINE, MONOHYDROCHLORIDE, HEMIHYDRATE
Source of Sample	W. Ross & W. Jamieson, Lilly Research Centre Ltd., Windlesham, Surrey, England
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H34Cl2N10O5
InChI	InChI=1S/2C15H15N5O2.2ClH.H2O/c21-3-19-13(18-10-14(19)20(21)22)9-6-11-4-7-12(8-5-11)15(16)17-2;;;/h23-10H,1H2,2H3,(H2,16,17);2*1H;1H2
InChIKey	YYUZBQLDLAMGSG-UHFFFAOYSA-N
Literature Reference	J. MED. CHEM. 18, 430(1975)
Melting Point	279-280C (dec.)
Molecular Weight	685.567017
Synonyms	BENZAMIDINE, N-METHYL- P-/2-/5-NITRO-1-VINYLIMIDAZOL-2-YL/- VINYL/-, MONOHYDROCHLORIDE, HEMIHYDRAT
Technique	KBr WAFER