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
   -3.2832    0.2155   -0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3367   -0.6594    0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9139   -0.3293    0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241    0.9177   -0.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9476    1.1879   -0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8715    0.2137    0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763   -1.0419    0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0224   -1.2986    0.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675    0.4628    0.0550 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0684    1.2383   -0.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3442   -0.0570   -0.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6800   -1.6665    0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110    1.7012   -0.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3284    2.1597   -0.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1141   -1.8083    0.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3514   -2.2868    0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879    1.3981    0.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3473   -0.0769 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