p-{[2,4-diamino-6-(heptylamino-5-pyrimidinyl]azo}benzoic acid, ethyl ester

SpectraBase Compound ID	Hi4P6JiVCrK
InChI	InChI=1S/C20H29N7O2/c1-3-5-6-7-8-13-23-18-16(17(21)24-20(22)25-18)27-26-15-11-9-14(10-12-15)19(28)29-4-2/h9-12H,3-8,13H2,1-2H3,(H5,21,22,23,24,25)/b27-26+
InChIKey	KYOYTHCADLFQPY-CYYJNZCTSA-N Google Search
Mol Weight	399.5 g/mol
Molecular Formula	C20H29N7O2
Exact Mass	399.238273 g/mol

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SpectraBase Spectrum ID	IesWfAoclV2
Name	p-{[2,4-DIAMINO-6-(HEPTYLAMINO)PYRIMIDIN-5-YL]AZO}BENZOIC ACID, ETHYL ESTER
Source of Sample	D. J. Triggle, State University of New York At Buffalo, Amherst, New York
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H29N7O2
InChI	InChI=1S/C20H29N7O2/c1-3-5-6-7-8-13-23-18-16(17(21)24-20(22)25-18)27-26-15-11-9-14(10-12-15)19(28)29-4-2/h9-12H,3-8,13H2,1-2H3,(H5,21,22,23,24,25)/b27-26+
InChIKey	KYOYTHCADLFQPY-CYYJNZCTSA-N
Melting Point	186C
Molecular Weight	399.498993
Synonyms	BENZOIC ACID, P-//2,4-DIAMINO-6- /HEPTYLAMINO/PYRIMIDIN-5-YL/AZO/-, ETHYL ESTER
Technique	KBr WAFER