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80546-24-3 | 1,2-benzothiazol-3-one; 2-(bis(2-hydroxyethyl)amino)ethanol; 2-(2-hydroxyethylamino)ethanol; morpholine
CAS No: 80546-24-3 Catalog No: AG005KMK MDL No:
Product Description
Catalog Number:
AG005KMK
Chemical Name:
1,2-benzothiazol-3-one; 2-(bis(2-hydroxyethyl)amino)ethanol; 2-(2-hydroxyethylamino)ethanol; morpholine
CAS Number:
80546-24-3
Molecular Formula:
C21H40N4O7S
Molecular Weight:
492.6299
IUPAC Name:
1,2-benzothiazol-3-one;2-[bis(2-hydroxyethyl)amino]ethanol;2-(2-hydroxyethylamino)ethanol;morpholine
InChI:
InChI=1S/C7H5NOS.C6H15NO3.C4H11NO2.C4H9NO/c9-7-5-3-1-2-4-6(5)10-8-7;8-4-1-7(2-5-9)3-6-10;6-3-1-5-2-4-7;1-3-6-4-2-5-1/h1-4H,(H,8,9);8-10H,1-6H2;5-7H,1-4H2;5H,1-4H2
InChI Key:
KWFCBHOZCRJMHG-UHFFFAOYSA-N
SMILES:
C1CNCCO1.O=c1[nH]sc2c1cccc2.OCCN(CCO)CCO.OCCNCCO
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.262g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
492.632g/mol
Monoisotopic Mass:
492.262g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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