Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-iodo-, methyl ester


Chemical Name: Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-iodo-, methyl ester
CAS Number: 113850-76-3
Product Number: AG0009WU(AGN-PC-0NYAYP)
Synonyms:
MDL No:
Molecular Formula: C15H20INO4
Molecular Weight: 405.2281

Identification/Properties


Computed Properties
Molecular Weight:
405.232g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
405.044g/mol
Monoisotopic Mass:
405.044g/mol
Topological Polar Surface Area:
64.6A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
359
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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