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
   -3.2467    0.3168    0.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3136   -0.5845    0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9021   -0.2835    0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3952    0.9925    0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    1.1971    0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8421    0.1382   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3623   -1.1478   -0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004   -1.3412   -0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2328    0.3649   -0.1097 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3088    0.0499    0.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0644    1.3809    0.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6465   -1.6266    0.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0914    1.8058    0.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3768    2.1989    0.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0549   -1.9914   -0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3808   -2.3674   -0.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7464    0.1972   -0.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7555    0.7001    0.7204 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