1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-, (1S,2S)-


Chemical Name: 1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-, (1S,2S)-
CAS Number: 2964-48-9
Product Number: AG003BJ4(AGN-PC-0O8OVT)
Synonyms:
MDL No:
Molecular Formula: C9H12N2O4
Molecular Weight: 212.2026

Identification/Properties


Properties
MP:
163-166 °C(lit.)
BP:
451.9 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.5373 (estimate)
Computed Properties
Molecular Weight:
212.205g/mol
XLogP3:
-0.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
212.08g/mol
Monoisotopic Mass:
212.08g/mol
Topological Polar Surface Area:
112A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
211
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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