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
3.2584 -0.3944 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3830 -0.0208 0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 0.0193 0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.3478 -0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0175 -0.2991 -1.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8740 0.1144 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2904 0.4811 1.0781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0769 0.4327 1.2531 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2893 0.1594 -0.3128 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3014 -0.3947 -0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9599 -0.7087 -1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7381 0.2935 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9741 -0.6762 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4689 -0.5916 -2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9371 0.8115 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5292 0.7287 2.2134 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7021 0.9837 -0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9373 -0.5911 0.0059 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