bmse000379 triethanolamine at BMRB

triethanolamine

2,2',2''-Nitrilotriethanol; Tris(hydroxyethyl)amine; Triethanolamin-NG; Triethanolamine; nitrilotriethanol; nitrilo-2,2',2''-triethanol; 2,2',2''-NITRILOTRIETHANOL; tris(2-hydroxyethyl)amine; Trihydroxytriethylamine; triethanolamine; H3tea

Molecular Formula: C6 H15 N O3
Natural Isotopic Abundance Mass: 149.1882
Mono-Isotopic Molecular Masses: C12N14: 149.105193353; C13N14: 155.1253223798; C12N15: 150.1022282462; C13N15: 156.122357273

triethanolamine

InCHi String:
InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2

canonical and isomeric SMILES:
C(CO)N(CCO)CCO

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-(bis(2-hydroxyethyl)amino)ethanol

PubChem Substance (SID):   85165173   8991   24889339
PubChem Compound (CID):   7618
KEGG: Compound ID   C06771
CAS Registry IDs:   102-71-6
PDB Chemical Component   211
Miscellaneous Databases and IDs:   Sigma-Aldrich 90278_FLUKA   ChemBank NCIOpen2_004601   ChEBI CHEBI:28621   ChemSpider 13887535   MMDB 46084.7   EPA DSSTox 1392   UM-BBD c0491   ChemDB 3969508   NIST Chemistry WebBook 2867175468   MMCD cq_03914   MDL MFCD00002855

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.