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
-2.6948 -1.3398 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2816 -0.1318 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8697 0.2593 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4959 1.5587 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 1.9678 -0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8338 1.0790 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4898 -0.2250 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1510 -0.6296 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4893 -1.2057 0.4171 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7451 -1.5935 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0216 -2.1687 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0212 0.6329 -0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3080 2.2653 -0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0914 2.9964 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8827 1.3394 -0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0602 -1.6478 0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0162 -1.6867 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7215 -1.4703 1.4057 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