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
    2.2823    1.8498   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    0.7140   -0.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7429    0.0290   -0.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4488   -1.1716   -1.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826   -1.9054   -0.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5275   -1.3745    0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2929   -0.1816    0.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1216    0.5137    0.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1698    0.3529    1.7557 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1857    2.3833   -0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6712    2.3089    0.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6303    0.3063   -1.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170   -1.5932   -1.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727   -2.8443   -1.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4336   -1.9065    0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0288    1.4357    0.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9032    0.2275    2.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0514    0.8560    1.5400 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