butanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate


Chemical Name: butanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
CAS Number: 386750-22-7
Product Number: AG01E5B6(AGN-PC-0LVF07)
Synonyms:
MDL No: MFCD11877765
Molecular Formula: C20H33NO7
Molecular Weight: 399.4785

Identification/Properties


Properties
BP:
403.8°C at 760 mmHg
Storage:
-10 ℃;
Computed Properties
Molecular Weight:
399.484g/mol
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
7
Exact Mass:
399.226g/mol
Monoisotopic Mass:
399.226g/mol
Topological Polar Surface Area:
119A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
359
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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