methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate;hydrochloride


Chemical Name: methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate;hydrochloride
CAS Number: 1177093-05-8
Product Number: AG0099JT(AGN-PC-06V8ME)
Synonyms:
MDL No:
Molecular Formula: C11H14ClNO4
Molecular Weight: 259.6862

Identification/Properties


Computed Properties
Molecular Weight:
259.686g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
259.061g/mol
Monoisotopic Mass:
259.061g/mol
Topological Polar Surface Area:
70.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
258
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


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

NMR Spectrum


Other Analytical Data


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