Home Nitriles 3-[2-(methylamino)ethoxy]benzonitrile

3-[2-(methylamino)ethoxy]benzonitrile

CAS No.:
1038699-39-6
Catalog Number:
AG01AHCH
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
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Product Description
Catalog Number:
AG01AHCH
Chemical Name:
3-[2-(methylamino)ethoxy]benzonitrile
CAS Number:
1038699-39-6
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD11199907
IUPAC Name:
3-[2-(methylamino)ethoxy]benzonitrile
InChI:
InChI=1S/C10H12N2O/c1-12-5-6-13-10-4-2-3-9(7-10)8-11/h2-4,7,12H,5-6H2,1H3
InChI Key:
NINXSIIXDZIVFL-UHFFFAOYSA-N
SMILES:
CNCCOc1cccc(c1)C#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:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties