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
   -3.1875    0.1426    0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1259   -0.6069    0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7755   -0.0735    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4856    1.2677    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8194    1.7458   -0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8771    0.8621   -0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -0.5036    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3152   -0.9323    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6683   -1.4627    0.0821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1859   -0.2900    0.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1360    1.2156    0.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2486   -1.6905    0.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2764    1.9798   -0.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9971    2.8117   -0.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9084    1.1692   -0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0998   -2.0085    0.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4141   -1.3849    0.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6929   -2.2415   -0.5951 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