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
   -3.2325    0.1521   -0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2476   -0.7159   -0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8726   -0.3587   -0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191   -1.3295   -0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4442   -1.0826   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7986    0.2209    0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8734    1.2318    0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4668    0.9212    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1522    0.5559    0.5225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2546   -0.1466   -0.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0824    1.1922   -0.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4942   -1.7447   -0.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1919   -2.3558   -0.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1849   -1.8849   -0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1622    2.2555    0.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1826    1.7338    0.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6623    1.1867   -0.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281    0.1686    1.3456 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