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
3.0923 -0.6615 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1560 0.2616 0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7359 -0.0057 0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3242 -1.2871 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0239 -1.6023 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9042 -0.5400 -0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5377 0.7636 -0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1854 1.0204 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4729 1.8396 -0.0405 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1137 -0.3576 0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9513 -1.7166 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4919 1.2941 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0128 -2.1071 -0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3491 -2.6229 -0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9569 -0.7362 -0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1837 2.0236 0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1778 2.8086 -0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4540 1.6255 0.2454 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