Hexanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-6-[[imino[[(4-methylphenyl)sulfonyl]amino]methyl]amino]-,(S)- (9CI)


Chemical Name: Hexanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-6-[[imino[[(4-methylphenyl)sulfonyl]amino]methyl]amino]-,(S)- (9CI)
CAS Number: 136271-81-3
Product Number: AG003OI0(AGN-PC-0PKUZA)
Synonyms:
MDL No:
Molecular Formula: C19H30N4O6S
Molecular Weight: 442.5297

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
442.531g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
12
Exact Mass:
442.189g/mol
Monoisotopic Mass:
442.189g/mol
Topological Polar Surface Area:
169A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
704
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-H312-H315-H319
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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