2-aminopropanedinitrile;4-methylbenzenesulfonic acid


Chemical Name: 2-aminopropanedinitrile;4-methylbenzenesulfonic acid
CAS Number: 5098-14-6
Product Number: AG00374W(AGN-PC-0JSXYH)
Synonyms:
MDL No:
Molecular Formula: C10H11N3O3S
Molecular Weight: 253.2776

Identification/Properties


Properties
MP:
174 °C(dec.);(lit.);
BP:
484°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
253.276g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
253.052g/mol
Monoisotopic Mass:
253.052g/mol
Topological Polar Surface Area:
136A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
310
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302+H312+H332
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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