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
2.7424 1.0056 0.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2300 -0.1611 0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8300 -0.3824 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3364 -1.6507 -0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9821 -1.8856 -0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8625 -0.8230 -0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4200 0.4565 -0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0825 0.6470 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3352 1.5557 -0.4902 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1984 1.9395 0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7938 1.1073 0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8741 -1.0412 0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0283 -2.4920 -0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3322 -2.9061 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8968 -0.9766 -0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2453 1.6644 0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0602 1.6158 -1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3072 2.3269 0.1983 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