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


Chemical Name: 1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-, (1R,2R)-
CAS Number: 716-61-0
Product Number: AG005QRY(AGN-PC-0OH0HW)
Synonyms:
MDL No:
Molecular Formula: C9H12N2O4
Molecular Weight: 212.2026

Identification/Properties


Properties
MP:
163-165°C
BP:
451.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
-30.5 ° (C=1, 6mol/L HCl)
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


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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