D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-iodo-, methyl ester


Chemical Name: D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-iodo-, methyl ester
CAS Number: 170848-34-7
Product Number: AG003OFE(AGN-PC-0O4TXK)
Synonyms:
MDL No:
Molecular Formula: C9H16INO4
Molecular Weight: 329.1321

Identification/Properties


Properties
MP:
55-59 °C(lit.)
BP:
356.5°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
329.134g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
329.012g/mol
Monoisotopic Mass:
329.012g/mol
Topological Polar Surface Area:
64.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
237
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:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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