BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

4-(2-Aminoethyl)morpholine

Graphical representations:

4-(2-Aminoethyl)morpholine image

View large 3D structure

Molecular Formula: C6 H14 N2 O

Natural Isotopic Abundance Mass: 130.18816

Mono-Isotopic Molecular Masses:

  • C12N14: 130.110613082
  • C13N14: 136.130742109
  • C12N15: 132.104682868
  • C13N15: 138.1248118951

InChI String: InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2

canonical SMILES: C1COCCN1CCN

IUPAC
2-morpholin-4-ylethanamine

PubChem Substance (SID):   85164980   203809
PubChem Compound (CID):   408285
KEGG: Compound ID   n/a
CAS Registry IDs:   2038-03-1
PDB Chemical Component   EMR
Miscellaneous Databases and IDs:   EINECS 218-011-6   Beilstein Handbook Reference 4-27-00-00370

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