Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (3S)-


Chemical Name: Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (3S)-
CAS Number: 132549-43-0
Product Number: AG0010TA(AGN-PC-0O1258)
Synonyms:
MDL No:
Molecular Formula: C12H23NO4
Molecular Weight: 245.3153

Identification/Properties


Properties
MP:
53-55℃
BP:
374.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Solubility:
Very slightly soluble (1.1 g/L at 25°C).
Computed Properties
Molecular Weight:
245.319g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
245.163g/mol
Monoisotopic Mass:
245.163g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
268
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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