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
-2.2117 1.9771 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1138 0.7296 0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8547 -0.0071 0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8330 -1.3520 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3317 -2.0563 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4815 -1.4859 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4577 -0.1634 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2769 0.5760 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6198 0.4758 -0.8771 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3894 2.5220 -0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1466 2.5076 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9953 0.2108 0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7559 -1.7881 1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3691 -3.1086 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4141 -2.0609 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3061 1.6333 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7944 0.4114 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2490 0.9787 -0.2388 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