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
2.9272 -0.7888 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2136 0.2854 -0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7808 0.3778 -0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1223 1.5745 -0.5558 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2367 1.7296 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9864 0.6792 0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3895 -0.5179 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0244 -0.6256 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1350 -1.6426 0.9023 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0028 -0.7993 -0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4181 -1.6612 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7322 1.1508 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6985 2.4248 -0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7112 2.6736 -0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0618 0.7442 0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4332 -1.5746 0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9873 -1.9568 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -2.0731 0.2186 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