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
2.7344 1.1016 -0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2184 -0.0803 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8085 -0.3492 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 -1.6523 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0226 -1.8968 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8702 -0.8773 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4134 0.4074 0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0692 0.6620 0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2900 1.4707 0.6113 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1647 1.9755 -0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7930 1.2498 -0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8631 -0.9223 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0025 -2.4265 -0.5414 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3655 -2.9161 -0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9229 -1.1094 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2470 1.6833 0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9529 2.2101 1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2308 1.4696 0.1889 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