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
3.1598 -0.3671 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9808 -0.8966 -0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7167 -0.2097 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7062 1.1142 0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5239 1.7748 0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7016 1.1174 0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6626 -0.2269 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4685 -0.8916 -0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8749 -0.9254 -0.3108 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 0.6614 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0796 -0.9501 -0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9613 -1.9612 -0.4965 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6137 1.6804 0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5438 2.8053 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6817 1.5617 0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4205 -1.9361 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2079 -1.5924 0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4100 -0.7581 -1.1738 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