Home Nitriles 3-[1-(methylamino)ethyl]benzonitrile

3-[1-(methylamino)ethyl]benzonitrile

CAS No.:
1158052-24-4
Catalog Number:
AG01C42P
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
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Product Description
Catalog Number:
AG01C42P
Chemical Name:
3-[1-(methylamino)ethyl]benzonitrile
CAS Number:
1158052-24-4
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD12048888
IUPAC Name:
3-[1-(methylamino)ethyl]benzonitrile
InChI:
InChI=1S/C10H12N2/c1-8(12-2)10-5-3-4-9(6-10)7-11/h3-6,8,12H,1-2H3
InChI Key:
FZFYFVXVHIGBJC-UHFFFAOYSA-N
SMILES:
CNC(c1cccc(c1)C#N)C
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties