BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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N-(4-aminobutyl)acetamide

N-(4-aminobutyl)acetamide synonyms

N-Acetylputrescine hydrochloride

Wikipedia:

Graphical representations:

N-(4-aminobutyl)acetamide image

View large 3D structure

Molecular Formula: C6H14N2O

Natural Isotopic Abundance Mass: 130.18816

Mono-Isotopic Molecular Masses:

  • C12N14: 130.110613078
  • C13N14: 136.130742106
  • C12N15: 132.104682864
  • C13N15: 138.124811892

InChI String: InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   122356
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_01651

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773