Benzonitrile, 3-(1-piperazinyl)-


Chemical Name: Benzonitrile, 3-(1-piperazinyl)-
CAS Number: 178928-58-0
Product Number: AG0026HS(AGN-PC-009YP8)
Synonyms:
MDL No: MFCD06796181
Molecular Formula: C11H13N3
Molecular Weight: 187.2410

Identification/Properties


Properties
BP:
364.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
187.246g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
187.111g/mol
Monoisotopic Mass:
187.111g/mol
Topological Polar Surface Area:
39.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
224
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:
H315-H319
Precautionary Statements:
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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