3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2R,3R,4R,5S)-


Chemical Name: 3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2R,3R,4R,5S)-
CAS Number: 72599-27-0
Product Number: AG005QP0(AGN-PC-0OH59S)
Synonyms:
MDL No:
Molecular Formula: C10H22ClNO4
Molecular Weight: 255.7390

Identification/Properties


Properties
MP:
126-127℃
BP:
394.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
219.281g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
219.147g/mol
Monoisotopic Mass:
219.147g/mol
Topological Polar Surface Area:
84.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
1
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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