Benzonitrile, 2-amino-4,5-dimethoxy-


Chemical Name: Benzonitrile, 2-amino-4,5-dimethoxy-
CAS Number: 26961-27-3
Product Number: AG003GEH(AGN-PC-0JVO5J)
Synonyms:
MDL No:
Molecular Formula: C9H10N2O2
Molecular Weight: 178.1879

Identification/Properties


Properties
MP:
96-101 °C(lit.)
BP:
346.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
178.191g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
178.074g/mol
Monoisotopic Mass:
178.074g/mol
Topological Polar Surface Area:
68.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
211
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:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H319-H332
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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