methyl 3-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate;hydrochloride


Chemical Name: methyl 3-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate;hydrochloride
CAS Number: 81161-17-3
Product Number: AG0055C4(AGN-PC-0H19RW)
Synonyms:
MDL No:
Molecular Formula: C16H26ClNO4
Molecular Weight: 331.8349

Identification/Properties


Properties
MP:
48-50°C
Storage:
2-8℃;
Form:
Liquid
Solubility:
H2O: soluble12mg/mL
Computed Properties
Molecular Weight:
331.837g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
10
Exact Mass:
331.155g/mol
Monoisotopic Mass:
331.155g/mol
Topological Polar Surface Area:
67.8A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
288
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:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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