Triethanolamine aluminate barium salt

Catalog Number

ACM198991854

Product Name

Triethanolamine aluminate barium salt

CAS

198991-85-4

Category

Heterocyclic Organic Compound

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

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

MSDS

COA

Spec Sheet