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78329-79-0 | Ethanol,2-[2-(dimethylamino)ethoxy]-, 1-(4-aminobenzoate), hydrochloride (1:1)
CAS No: 78329-79-0 Catalog No: AG0053PQ MDL No:
Product Description
Catalog Number:
AG0053PQ
Chemical Name:
Ethanol,2-[2-(dimethylamino)ethoxy]-, 1-(4-aminobenzoate), hydrochloride (1:1)
CAS Number:
78329-79-0
Molecular Formula:
C13H21ClN2O3
Molecular Weight:
288.7704
IUPAC Name:
2-[2-(4-aminobenzoyl)oxyethoxy]ethyl-dimethylazanium;chloride
InChI:
InChI=1S/C13H20N2O3.ClH/c1-15(2)7-8-17-9-10-18-13(16)11-3-5-12(14)6-4-11;/h3-6H,7-10,14H2,1-2H3;1H
InChI Key:
JSXVRXMEIYNOKY-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)N)OCCOCC[NH+](C)C.[Cl-]
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.124g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.772g/mol
Monoisotopic Mass:
288.124g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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