Monomers

4-Vinylaniline

Identifiers

IUPAC name
4-ethenylaniline
InchI
InChI=1S/C8H9N/c1-2-7-3-5-8(9)6-4-7/h2-6H,1,9H2
InchI Key
LBSXSAXOLABXMF-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)N
Canonical SMILES
C=CC1=CC=C(C=C1)N
Isomeric SMILES
C=CC1=CC=C(C=C1)N
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H9N
Heavy Atom Count
9
Molecular Weight
119.167
Exact Molecular Weight
119.0735
Valence Electrons
46
Radical Electrons
0
tPSA
26.02
MolLogP
1.9118
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.1984   -0.3498    0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3623   -0.2344   -0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9145   -0.1663   -0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1050   -0.0454   -1.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2649    0.0212   -1.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8554   -0.0308    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0160   -0.1514    1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3599   -0.2206    0.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2627    0.0354    0.1858 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2716   -0.3976    0.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9199   -0.4056    1.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7757   -0.1884   -1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391   -0.0014   -2.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148    0.1179   -2.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4676   -0.1940    2.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9256   -0.3135    1.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7075   -0.0267    1.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8832    0.1499   -0.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers