2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butylphenoxy]ethyl-methylamino]acetic acid;hydrochloride


Chemical Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butylphenoxy]ethyl-methylamino]acetic acid;hydrochloride
CAS Number: 868265-28-5
Product Number: AG00H0AN(AGN-PC-0BLCOT)
Synonyms:
MDL No: MFCD12828768
Molecular Formula: C22H28ClNO5
Molecular Weight: 421.91442

Identification/Properties


Computed Properties
Molecular Weight:
421.918g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
8
Exact Mass:
421.166g/mol
Monoisotopic Mass:
421.166g/mol
Topological Polar Surface Area:
68.2A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
520
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


NMR Spectrum


Other Analytical Data


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