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1,3-Diaminopropane
SpectraBase Compound ID 9SlQxULuvc
InChI InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
InChIKey XFNJVJPLKCPIBV-UHFFFAOYSA-N
Mol Weight 74.13 g/mol
Molecular Formula C3H10N2
Exact Mass 74.084398 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DjPIyosRuj3
Name 1,3-Diaminopropane
Acquisition Mode SIMULTANEOUS
CAS Registry Number 10517-44-9 109-76-2 54018-94-9
ChEBI ID 15725
Comments 100 mM 1_3_diaminopropane - vendor: Sigma d23602; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C3H10N2
IUPAC Name propane-1,3-diamine
InChI InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
InChIKey XFNJVJPLKCPIBV-UHFFFAOYSA-N
KEGG Compound ID C00986
KEGG Pathways PATH: map00220 Urea cycle and metabolism of amino groups PATH: map00410 beta-Alanine metabolism
PubChem Compound ID 428
SMILES C(CN)CN
Source File Reference bmse000001