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
3.1542 -0.0329 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0509 -0.6861 0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7548 -0.0975 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5588 1.1727 -0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7345 1.6647 -0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8376 0.9006 -0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6136 -0.3729 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3595 -0.8870 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7083 -1.2147 0.4218 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1419 -0.4754 0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1773 0.9645 -0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1239 -1.6867 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4174 1.7855 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8595 2.6705 -1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8492 1.2169 -0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2204 -1.8923 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1476 -1.7608 -0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0490 -1.2693 1.3872 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