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
-3.1761 -0.3258 0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0028 -0.9020 0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7333 -0.2203 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6989 1.1303 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4952 1.7975 -0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6730 1.0843 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6622 -0.2690 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4679 -0.9124 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9136 -0.9672 0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0643 -0.9182 0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2871 0.7171 0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9422 -1.9805 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6062 1.7520 -0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4779 2.8724 -0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6184 1.6081 -0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4666 -1.9775 0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7883 -0.5535 0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9478 -1.9354 -0.2961 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