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1166-85-4 | Ethanaminium, N,N-diethyl-2-[(2-hydroxy-2,2-diphenylacetyl)oxy]-N-methyl-, chloride (1:1)
CAS No: 1166-85-4 Catalog No: AG000CV4 MDL No:
Product Description
Catalog Number:
AG000CV4
Chemical Name:
Ethanaminium, N,N-diethyl-2-[(2-hydroxy-2,2-diphenylacetyl)oxy]-N-methyl-, chloride (1:1)
CAS Number:
1166-85-4
Molecular Formula:
C21H28ClNO3
Molecular Weight:
377.9049
IUPAC Name:
diethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-methylazanium;chloride
InChI:
InChI=1S/C21H28NO3.ClH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,24H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
InChI Key:
KQVQBPSOWVZVQD-UHFFFAOYSA-M
SMILES:
CC[N+](CCOC(=O)C(c1ccccc1)(c1ccccc1)O)(CC)C.[Cl-]
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.176g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.909g/mol
Monoisotopic Mass:
377.176g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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