1,3-Butanediol, 2-amino-, (2S,3S)-


Chemical Name: 1,3-Butanediol, 2-amino-, (2S,3S)-
CAS Number: 44520-55-0
Product Number: AG003PWB(AGN-PC-0OAGYL)
Synonyms:
MDL No:
Molecular Formula: C4H11NO2
Molecular Weight: 105.1356

Identification/Properties


Properties
MP:
57.5-61.5 °C(lit.);
BP:
257.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4170 (estimate)
Computed Properties
Molecular Weight:
105.137g/mol
XLogP3:
-1.6
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
105.079g/mol
Monoisotopic Mass:
105.079g/mol
Topological Polar Surface Area:
66.5A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
49
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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


NMR Spectrum


Other Analytical Data


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