Home Nitriles 4-amino-3-(propan-2-yloxy)benzonitrile

4-amino-3-(propan-2-yloxy)benzonitrile

CAS No.:
1369783-66-3
Catalog Number:
AG01DVYK
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
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Product Description
Catalog Number:
AG01DVYK
Chemical Name:
4-amino-3-(propan-2-yloxy)benzonitrile
CAS Number:
1369783-66-3
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD23113939
IUPAC Name:
4-amino-3-propan-2-yloxybenzonitrile
InChI:
InChI=1S/C10H12N2O/c1-7(2)13-10-5-8(6-11)3-4-9(10)12/h3-5,7H,12H2,1-2H3
InChI Key:
MOBYIROICQZPDG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)OC(C)C)N
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties