Benzonitrile, 3-(1-aminoethyl)-


Chemical Name: Benzonitrile, 3-(1-aminoethyl)-
CAS Number: 153994-67-3
Product Number: AG00AKVF(AGN-PC-00OPU9)
Synonyms:
MDL No:
Molecular Formula: C9H10N2
Molecular Weight: 146.1891

Identification/Properties


Computed Properties
Molecular Weight:
146.193g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
146.084g/mol
Monoisotopic Mass:
146.084g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
168
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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