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
   -3.2109    0.3456    0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3092   -0.5521    0.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9022   -0.2706    0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4120    0.9411   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9522    1.1385   -0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230    0.1290    0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3174   -1.0810    0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0327   -1.3128    0.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2275    0.3128    0.0710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9452    1.3293   -0.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2606    0.0672    0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6316   -1.5226    0.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716    1.7779   -0.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3463    2.1120   -0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0146   -1.8987    0.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968   -2.2803    1.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6196    0.9561   -0.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8724   -0.1915    0.7178 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