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128008-38-8 | Ethanaminium, N,N,N-triethyl-, 1,2-benzenedicarboxylate
CAS No: 128008-38-8 Catalog No: AG000XP0 MDL No:
Product Description
Catalog Number:
AG000XP0
Chemical Name:
Ethanaminium, N,N,N-triethyl-, 1,2-benzenedicarboxylate
CAS Number:
128008-38-8
Molecular Formula:
C24H44N2O4
Molecular Weight:
424.6172
IUPAC Name:
phthalate;tetraethylazanium
InChI:
InChI=1S/2C8H20N.C8H6O4/c2*1-5-9(6-2,7-3)8-4;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*5-8H2,1-4H3;1-4H,(H,9,10)(H,11,12)/q2*+1;/p-2
InChI Key:
SQHGGAHUNVVVNZ-UHFFFAOYSA-L
SMILES:
[O-]C(=O)c1ccccc1C(=O)[O-].CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.33g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.626g/mol
Monoisotopic Mass:
424.33g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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