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89713-95-1 | Bis((carboxymethyl)trimethylammonium) adipate
CAS No: 89713-95-1 Catalog No: AG0043VZ MDL No:
Product Description
Catalog Number:
AG0043VZ
Chemical Name:
Bis((carboxymethyl)trimethylammonium) adipate
CAS Number:
89713-95-1
Molecular Formula:
C16H32N2O8
Molecular Weight:
380.4339
IUPAC Name:
carboxymethyl(trimethyl)azanium;hexanedioate
InChI:
InChI=1S/C6H10O4.2C5H11NO2/c7-5(8)3-1-2-4-6(9)10;2*1-6(2,3)4-5(7)8/h1-4H2,(H,7,8)(H,9,10);2*4H2,1-3H3
InChI Key:
YHWGCHQULBISHJ-UHFFFAOYSA-N
SMILES:
OC(=O)C[N+](C)(C)C.OC(=O)C[N+](C)(C)C.[O-]C(=O)CCCCC(=O)[O-]
EC Number:
289-518-8
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.216g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
380.438g/mol
Monoisotopic Mass:
380.216g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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