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16909-22-1 | Ethanaminium, N,N,N-triethyl-, benzoate (1:1)
CAS No: 16909-22-1 Catalog No: AG001YGX MDL No:
Product Description
Catalog Number:
AG001YGX
Chemical Name:
Ethanaminium, N,N,N-triethyl-, benzoate (1:1)
CAS Number:
16909-22-1
Molecular Formula:
C15H25NO2
Molecular Weight:
251.3645
IUPAC Name:
tetraethylazanium;benzoate
InChI:
InChI=1S/C8H20N.C7H6O2/c1-5-9(6-2,7-3)8-4;8-7(9)6-4-2-1-3-5-6/h5-8H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1
InChI Key:
CIFIGXMZHITUAZ-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1ccccc1.CC[N+](CC)(CC)CC
EC Number:
240-957-3
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.189g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.37g/mol
Monoisotopic Mass:
251.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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