3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propanenitrile


Chemical Name: 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propanenitrile
CAS Number: 76362-28-2
Product Number: AG005PQ4(AGN-PC-00MZXO)
Synonyms:
MDL No:
Molecular Formula: C14H17N5O2
Molecular Weight: 287.3171

Identification/Properties


Computed Properties
Molecular Weight:
287.323g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
287.138g/mol
Monoisotopic Mass:
287.138g/mol
Topological Polar Surface Area:
97.3A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
385
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

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NMR Spectrum


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