Home Nitriles 5-amino-2-(tert-butoxy)benzonitrile

5-amino-2-(tert-butoxy)benzonitrile

CAS No.:
1250163-54-2
Catalog Number:
AG01AUBP
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
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Product Description
Catalog Number:
AG01AUBP
Chemical Name:
5-amino-2-(tert-butoxy)benzonitrile
CAS Number:
1250163-54-2
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD14617350
IUPAC Name:
5-amino-2-[(2-methylpropan-2-yl)oxy]benzonitrile
InChI:
InChI=1S/C11H14N2O/c1-11(2,3)14-10-5-4-9(13)6-8(10)7-12/h4-6H,13H2,1-3H3
InChI Key:
AWAUJUHCMWPJJA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1OC(C)(C)C
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties