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{4-[(3-GUANIDINOPROPYL)AMINO]BUTYL}GUANIDINE, SULFATE (2:3), HYDRATE

View entire compound with spectra: 1 NMR, and 1 FTIR

{4-[(3-GUANIDINOPROPYL)AMINO]BUTYL}GUANIDINE, SULFATE (2:3), HYDRATE
SpectraBase Compound ID K1So3Vp5SpV
InChI InChI=1S/2C9H23N7.3H2O4S.2H2O/c2*10-8(11)15-6-2-1-4-14-5-3-7-16-9(12)13;3*1-5(2,3)4;;/h2*14H,1-7H2,(H4,10,11,15)(H4,12,13,16);3*(H2,1,2,3,4);2*1H2
InChIKey HLQUYOWUHINMDI-UHFFFAOYSA-N
Mol Weight 788.91 g/mol
Molecular Formula C18H56N14O14S3
Exact Mass 788.326256 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KcWMZ1t6fo1
Name {4-[(3-GUANIDINOPROPYL)AMINO]BUTYL}GUANIDINE, SULFATE (2:3), HYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H23N7 11/2H2SO4 H2O
InChI InChI=1S/2C9H23N7.3H2O4S.2H2O/c2*10-8(11)15-6-2-1-4-14-5-3-7-16-9(12)13;3*1-5(2,3)4;;/h2*14H,1-7H2,(H4,10,11,15)(H4,12,13,16);3*(H2,1,2,3,4);2*1H2
InChIKey HLQUYOWUHINMDI-UHFFFAOYSA-N
Melting Point 180-185C
Molecular Weight 403.45
Solvent Deuterium oxide/Deuterium chloride; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms GUANIDINE, /4-//3-GUANIDINOPROPYL/AMINO/BUTYL/-, SULFATE /2 TO 3/, HYDRATE