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
    3.2503   -0.3258    0.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3712    0.0263   -0.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9377    0.0312   -0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0680    0.4246   -1.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872    0.4340   -1.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8657    0.0702    0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0063   -0.3129    1.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3692   -0.3342    0.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2794    0.1012    0.2763 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9449   -0.6348    1.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.3026    0.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7184    0.3285   -1.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5113    0.7170   -2.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9612    0.7439   -1.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4675   -0.6002    2.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9959   -0.6438    1.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8937   -0.7337    0.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7270    1.0109    0.5331 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