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
2.5745 -1.5087 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0933 -0.4405 -0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.0946 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3885 1.2231 -1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8750 1.7209 -0.9397 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7480 1.1405 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3860 0.0187 0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1058 -0.4898 0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2536 -0.6125 1.6068 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0177 -2.0815 0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5814 -1.8793 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7758 0.0386 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0479 1.7034 -1.8826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2058 2.5946 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7495 1.5406 0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1680 -1.3728 1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2738 -0.7261 1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8108 -0.9639 2.4848 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