bmse000773 triethylenetetramine at BMRB

triethylenetetramine

Trientine; 1,2-Ethanediamine, N,N'-bis(2-aminoethyl)-; Triethylenetetramine

Molecular Formula: C6 H18 N4
Natural Isotopic Abundance Mass: 146.23392
Mono-Isotopic Molecular Masses: C12N14: 146.1531465986; C13N14: 152.1732756254; C12N15: 150.1412861714; C13N15: 156.1614151982

triethylenetetramine

InCHi String:
InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2

canonical and isomeric SMILES:
C(CNCCNCCN)N

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine

PUBCHEM iupac TRADITIONAL NAME
2-aminoethyl-[2-(2-aminoethylamino)ethyl]amine

PUBCHEM iupac SYSTEMATIC NAME
N'-[2-(2-azanylethylamino)ethyl]ethane-1,2-diamine

PubChem Substance (SID):   111677898   9375   26704457
PubChem Compound (CID):   5565
KEGG: Compound ID   C07166
CAS Registry IDs:   112-24-3
PDB Chemical Component   104
Miscellaneous Databases and IDs:   CAS 112-24-3   MMCD cq_04218   MMDB 48664.3   NCGC NCGC00091695-01   NIST Chemistry WebBook 1419104067

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.