3-(2-aminoethyl)-1H-indole-5-carbonitrile;hydrochloride


Chemical Name: 3-(2-aminoethyl)-1H-indole-5-carbonitrile;hydrochloride
CAS Number: 101831-71-4
Product Number: AG0005OE(AGN-PC-0JL2ZV)
Synonyms:
MDL No:
Molecular Formula: C11H12ClN3
Molecular Weight: 221.6861

Identification/Properties


Computed Properties
Molecular Weight:
221.688g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
221.072g/mol
Monoisotopic Mass:
221.072g/mol
Topological Polar Surface Area:
65.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
242
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:
H302-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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