Home Nitriles 4-(3-aminophenoxy)butanenitrile

4-(3-aminophenoxy)butanenitrile

CAS No.:
802009-56-9
Catalog Number:
AG019VIL
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019VIL
Chemical Name:
4-(3-aminophenoxy)butanenitrile
CAS Number:
802009-56-9
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD09803113
IUPAC Name:
4-(3-aminophenoxy)butanenitrile
InChI:
InChI=1S/C10H12N2O/c11-6-1-2-7-13-10-5-3-4-9(12)8-10/h3-5,8H,1-2,7,12H2
InChI Key:
YCURMYBAXCTAFM-UHFFFAOYSA-N
SMILES:
N#CCCCOc1cccc(c1)N
Properties
Complexity:
185  
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:
4  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties