4-(aminomethyl)benzonitrile;hydrochloride


Chemical Name: 4-(aminomethyl)benzonitrile;hydrochloride
CAS Number: 15996-76-6
Product Number: AG001RJS(AGN-PC-0MW21V)
Synonyms:
MDL No: MFCD01861472
Molecular Formula: C8H9ClN2
Molecular Weight: 168.6235

Identification/Properties


Properties
MP:
274-279 °C(lit.)
BP:
275.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
168.624g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
168.045g/mol
Monoisotopic Mass:
168.045g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
137
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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