Marvin  07200713112D          

  7  6  0  0  0  0            999 V2000
    0.0000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  4  1  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <ID>
CHEBI:35026

> <NAME>
triethylamine

> <DEFINITION>
A tertiary amine that is ammonia in which each hydrogen atom is substituted by an ethyl group.

> <STAR>
3

> <SYNONYM>
Triethylamine; Triethylamin; Triaethylamin; TEN; TEA; NEt3; N,N-Diethylethanamine; N,N,N-triethylamine; (diethylamino)ethane; (C2H5)3N

> <IUPAC_NAME>
N,N-diethylethanamine

> <FORMULA>
C6H15N

> <MASS>
101.19004

> <MONOISOTOPIC_MASS>
101.12045

> <CHARGE>
0

> <SMILES>
CCN(CC)CC

> <INCHI>
InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3

> <INCHIKEY>
ZMANZCXQSJIPKH-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
605283

> <CAS_REGISTRY_NUMBER>
121-44-8

> <GMELIN_REGISTRY_NUMBER>
2455

> <REAXYS_REGISTRY_NUMBER>
605283

> <CHEMIDPLUS>
121-44-8

> <KEGG_COMPOUND_ACCESSION>
C14691

> <METACYC_ACCESSION>
TRIETHYLAMINE

> <NIST_CHEMISTRY_WEBBOOK>
121-44-8

> <PDBECHEM_ACCESSION>
TEA

> <WIKIPEDIA_ACCESSION>
Triethylamine

> <PUBMED_CITATION>
24359525

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