2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol;hydrochloride


Chemical Name: 2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol;hydrochloride
CAS Number: 183320-12-9
Product Number: AG0027I3(AGN-PC-022OVX)
Synonyms:
MDL No:
Molecular Formula: C20H20ClN3O4
Molecular Weight: 401.8435

Identification/Properties


Computed Properties
Molecular Weight:
401.847g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
9
Exact Mass:
401.114g/mol
Monoisotopic Mass:
401.114g/mol
Topological Polar Surface Area:
96.7A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
497
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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