Synonyms
Triethanolamine aluminate barium salt;198991-85-4;CTK8G3595;DTXSID40587320;[|I3-[[2,2 inverted exclamation marka-[[2-(Hydroxy-|EO)ethyl]imino-|EN]bis[ethanolato-|EO:|EO]](2-)]]bis[[[2,2 inverted exclamation marka,2 inverted exclamation marka inverted exclamation marka-(nitrilo-|EN)tris[ethanolato-|EO]](3-)]aluminum]barium;Barium 1,1'-bis(2,8,9-trioxa-5-aza-1-aluminabicyclo[3.3.3]undecan-1-uide);
IUPAC Name
Triethanolamine aluminate barium salt
Molecular Weight
630.79
Molecular Formula
C18H37Al2BaN3O9
Canonical SMILES
C1CO[Al-]2(OCCN1CCO2)OCCN(CCO)CCO[Al-]34OCCN(CCO3)CCO4.[Ba+2]
InChI
InChI=1S/C6H13NO3.2C6H12NO3.2Al.Ba/c3*8-4-1-7(2-5-9)3-6-10;;;/h8H,1-6H2;2*1-6H2;;;/q-2;2*-3;2*+3;+2;
InChI Key
LMRQYWULUTVMDD-UHFFFAOYSA-N
Purity
96%
Complexity
471
Covalently-Bonded Unit Count
2
Exact Mass
631.12100
H-Bond Acceptor
14
H-Bond Donor
1
Heavy Atom Count
33
Monoisotopic Mass
631.121g/mol
Rotatable Bond Count
10
Topological Polar Surface Area
104A^2
