Home Nitriles 2-[3-(aminomethyl)phenoxy]butanenitrile hydrochloride

2-[3-(aminomethyl)phenoxy]butanenitrile hydrochloride

CAS No.:
1306603-71-3
Catalog Number:
AG01AI8G
Molecular Formula:
C11H15ClN2O
Molecular Weight:
226.7026
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Product Description
Catalog Number:
AG01AI8G
Chemical Name:
2-[3-(aminomethyl)phenoxy]butanenitrile hydrochloride
CAS Number:
1306603-71-3
Molecular Formula:
C11H15ClN2O
Molecular Weight:
226.7026
MDL Number:
MFCD18838929
IUPAC Name:
2-[3-(aminomethyl)phenoxy]butanenitrile;hydrochloride
InChI:
InChI=1S/C11H14N2O.ClH/c1-2-10(8-13)14-11-5-3-4-9(6-11)7-12;/h3-6,10H,2,7,12H2,1H3;1H
InChI Key:
JQCDUPPQOVMCIC-UHFFFAOYSA-N
SMILES:
CCC(Oc1cccc(c1)CN)C#N.Cl
Properties
Complexity:
209  
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:
4  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties