Home Nitriles 4-{[2-(methylamino)ethoxy]methyl}benzonitrile hydrochloride

4-{[2-(methylamino)ethoxy]methyl}benzonitrile hydrochloride

CAS No.:
1803606-15-6
Catalog Number:
AG01BAND
Molecular Formula:
C11H15ClN2O
Molecular Weight:
226.7026
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Product Description
Catalog Number:
AG01BAND
Chemical Name:
4-{[2-(methylamino)ethoxy]methyl}benzonitrile hydrochloride
CAS Number:
1803606-15-6
Molecular Formula:
C11H15ClN2O
Molecular Weight:
226.7026
MDL Number:
MFCD28397691
IUPAC Name:
4-[2-(methylamino)ethoxymethyl]benzonitrile;hydrochloride
InChI:
InChI=1S/C11H14N2O.ClH/c1-13-6-7-14-9-11-4-2-10(8-12)3-5-11;/h2-5,13H,6-7,9H2,1H3;1H
InChI Key:
UQZGBXXWPQLWOK-UHFFFAOYSA-N
SMILES:
CNCCOCc1ccc(cc1)C#N.Cl
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.087g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.704g/mol
Monoisotopic Mass:
226.087g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties