Home Nitriles 3-[2-(methylamino)ethyl]benzonitrile hydrochloride

3-[2-(methylamino)ethyl]benzonitrile hydrochloride

CAS No.:
2059975-79-8
Catalog Number:
AG01BRNW
Molecular Formula:
C10H13ClN2
Molecular Weight:
196.6766
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Product Description
Catalog Number:
AG01BRNW
Chemical Name:
3-[2-(methylamino)ethyl]benzonitrile hydrochloride
CAS Number:
2059975-79-8
Molecular Formula:
C10H13ClN2
Molecular Weight:
196.6766
MDL Number:
MFCD30535826
IUPAC Name:
3-[2-(methylamino)ethyl]benzonitrile;hydrochloride
InChI:
InChI=1S/C10H12N2.ClH/c1-12-6-5-9-3-2-4-10(7-9)8-11;/h2-4,7,12H,5-6H2,1H3;1H
InChI Key:
CJXSGNONOUVVCZ-UHFFFAOYSA-N
SMILES:
CNCCc1cccc(c1)C#N.Cl
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.077g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.678g/mol
Monoisotopic Mass:
196.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties