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
-3.1916 -0.1517 -0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1073 0.4457 -0.5526 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7836 0.0633 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5422 -0.9588 0.7632 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7395 -1.3140 1.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8290 -0.6284 0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6312 0.4055 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3511 0.7346 -0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7455 1.1241 -0.7241 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1445 0.1913 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1683 -0.9647 0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1942 1.2743 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3691 -1.5425 1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9314 -2.1199 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8440 -0.8913 0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1501 1.5471 -1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8301 2.1417 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4489 0.6439 -1.2945 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