Benzonitrile, 2-amino-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-


Chemical Name: Benzonitrile, 2-amino-5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-
CAS Number: 54239-39-3
Product Number: AG00DFBS(AGN-PC-0KO2VQ)
Synonyms:
MDL No:
Molecular Formula: C13H19N3O
Molecular Weight: 233.30946

Identification/Properties


Computed Properties
Molecular Weight:
233.315g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
233.153g/mol
Monoisotopic Mass:
233.153g/mol
Topological Polar Surface Area:
82.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
289
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


NMR Spectrum


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