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
3.1468 0.5076 -0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0719 0.0248 -0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7554 0.0676 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5070 0.6084 1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7556 0.6448 1.6647 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8122 0.1100 0.9602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5975 -0.4409 -0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3305 -0.4559 -0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6979 -0.9876 -1.0014 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1774 0.9718 0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0979 0.4471 -0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1663 -0.4188 -1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 1.0253 1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9191 1.0734 2.6357 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7970 0.1085 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1509 -0.8916 -1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6135 -0.4985 -1.0429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6082 -1.8958 -1.4995 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