Alanine, 3,3,3-trifluoro-, ethyl ester, hydrochloride


Chemical Name: Alanine, 3,3,3-trifluoro-, ethyl ester, hydrochloride
CAS Number: 193140-71-5
Product Number: AG00AMNV(AGN-PC-0O6BQG)
Synonyms:
MDL No:
Molecular Formula: C5H9ClF3NO2
Molecular Weight: 207.5787

Identification/Properties


Computed Properties
Molecular Weight:
207.577g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
207.027g/mol
Monoisotopic Mass:
207.027g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
145
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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