Benzonitrile, 3,4-diamino-


Chemical Name: Benzonitrile, 3,4-diamino-
CAS Number: 17626-40-3
Product Number: AG0024JQ(AGN-PC-0JVORY)
Synonyms:
MDL No:
Molecular Formula: C7H7N3
Molecular Weight: 133.1506

Identification/Properties


Properties
MP:
144-148 °C
BP:
368.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Solubility:
Soluble in dichloromethane, methanol and ethyl acetate.
Computed Properties
Molecular Weight:
133.154g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
133.064g/mol
Monoisotopic Mass:
133.064g/mol
Topological Polar Surface Area:
75.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
158
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#:
N/A
Hazard Statements:
H302-H312-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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