Monomers

3-Vinylaniline

Identifiers

IUPAC name
3-ethenylaniline
InchI
InChI=1S/C8H9N/c1-2-7-4-3-5-8(9)6-7/h2-6H,1,9H2
InchI Key
IFSSSYDVRQSDSG-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)N
Canonical SMILES
C=CC1=CC(=CC=C1)N
Isomeric SMILES
C=CC1=CC(=CC=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
   -3.2013   -0.1036    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0566   -0.7563    0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7446   -0.1488    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6235    1.2154   -0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6486    1.7985   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7577    0.9702   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6614   -0.4045   -0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3852   -0.9377    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220   -1.2267   -0.0286 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2210    0.9688    0.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1633   -0.6102    0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1395   -1.8560    0.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4499    1.9071   -0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7411    2.8825   -0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7582    1.4163   -0.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2909   -2.0287    0.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3182   -1.5178    0.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2164   -1.5686   -0.9260 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
  7  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
  6 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