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148-69-6,MFCD00019859
Catalog No.:AA003I6V
148-69-6 | N-Ethyl-n-cyanoethyl-m-toluidine
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1g
98%
2 weeks  
$89.00   $62.00
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Technical Information
Catalog Number:
AA003I6V
Chemical Name:
N-Ethyl-n-cyanoethyl-m-toluidine
CAS Number:
148-69-6
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
MDL Number:
MFCD00019859
IUPAC Name:
3-(N-ethyl-3-methylanilino)propanenitrile
InChI:
InChI=1S/C12H16N2/c1-3-14(9-5-8-13)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,9H2,1-2H3
InChI Key:
NPCCPMHHNIOSHL-UHFFFAOYSA-N
SMILES:
N#CCCN(c1cccc(c1)C)CC
EC Number:
205-721-6
UNII:
C8HAT3D9UN
NSC Number:
93794
Properties
Computed Properties
 
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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