3-((4-(hydroxymethyl)-3-methyl-2,6-dinitrophenyl)amino)pentan-2-ol


Chemical Name: 3-((4-(hydroxymethyl)-3-methyl-2,6-dinitrophenyl)amino)pentan-2-ol
CAS Number: 127971-67-9
Product Number: AG01DUD5(AG01DUD5)
Synonyms:
MDL No:
Molecular Formula: C13H19N3O6
Molecular Weight: 313.3065

Identification/Properties


Computed Properties
Molecular Weight:
313.31g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
313.127g/mol
Monoisotopic Mass:
313.127g/mol
Topological Polar Surface Area:
144A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
396
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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