Home Nitriles 4-[(2-methoxyethyl)amino]benzonitrile

4-[(2-methoxyethyl)amino]benzonitrile

CAS No.:
1019600-58-8
Catalog Number:
AG01A7XG
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
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Product Description
Catalog Number:
AG01A7XG
Chemical Name:
4-[(2-methoxyethyl)amino]benzonitrile
CAS Number:
1019600-58-8
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD11135500
IUPAC Name:
4-(2-methoxyethylamino)benzonitrile
InChI:
InChI=1S/C10H12N2O/c1-13-7-6-12-10-4-2-9(8-11)3-5-10/h2-5,12H,6-7H2,1H3
InChI Key:
SHRMGYFIADUFLE-UHFFFAOYSA-N
SMILES:
COCCNc1ccc(cc1)C#N
Properties
Complexity:
177  
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:
1.5  
Properties