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119-97-1 | Propanenitrile, 3-[ethyl(4-formyl-3-methylphenyl)amino]-
CAS No: 119-97-1 Catalog No: AG000P0Q MDL No:MFCD02683509
Product Description
Catalog Number:
AG000P0Q
Chemical Name:
Propanenitrile, 3-[ethyl(4-formyl-3-methylphenyl)amino]-
CAS Number:
119-97-1
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD02683509
IUPAC Name:
3-(N-ethyl-4-formyl-3-methylanilino)propanenitrile
InChI:
InChI=1S/C13H16N2O/c1-3-15(8-4-7-14)13-6-5-12(10-16)11(2)9-13/h5-6,9-10H,3-4,8H2,1-2H3
InChI Key:
VTXVKMVZEXXUIC-UHFFFAOYSA-N
SMILES:
N#CCCN(c1ccc(c(c1)C)C=O)CC
EC Number:
204-362-2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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