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
2.5546 -0.9728 1.6412 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0601 -0.5163 0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6749 -0.2089 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2623 -0.3781 1.2874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5862 -0.0694 1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9543 0.3999 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0455 0.5808 -1.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2657 0.2726 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4664 1.0657 -2.4686 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9151 -1.1388 2.4727 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6426 -1.1836 1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7635 -0.3621 -0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0057 -0.7552 2.2922 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2946 -0.2181 1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0199 0.6284 -0.3449 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0398 0.3863 -1.6985 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2952 0.6217 -2.9215 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9977 1.8477 -2.9769 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