Home Nitriles 2-[5-(aminomethyl)-2-methoxyphenoxy]butanenitrile hydrochloride

2-[5-(aminomethyl)-2-methoxyphenoxy]butanenitrile hydrochloride

CAS No.:
1306606-14-3
Catalog Number:
AG01AI6E
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
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Product Description
Catalog Number:
AG01AI6E
Chemical Name:
2-[5-(aminomethyl)-2-methoxyphenoxy]butanenitrile hydrochloride
CAS Number:
1306606-14-3
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
MDL Number:
MFCD18838887
IUPAC Name:
2-[5-(aminomethyl)-2-methoxyphenoxy]butanenitrile;hydrochloride
InChI:
InChI=1S/C12H16N2O2.ClH/c1-3-10(8-14)16-12-6-9(7-13)4-5-11(12)15-2;/h4-6,10H,3,7,13H2,1-2H3;1H
InChI Key:
LXGCDXAHRHLNBC-UHFFFAOYSA-N
SMILES:
CCC(Oc1cc(CN)ccc1OC)C#N.Cl
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.73g/mol
Monoisotopic Mass:
256.098g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties