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
-3.1784 -0.0120 -0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0401 -0.6000 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7432 -0.1375 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6354 0.9718 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6002 1.4317 1.0896 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7494 0.7765 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6275 -0.3321 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4156 -0.8018 -0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8201 -1.0105 -0.4351 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1001 -0.4142 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2632 0.8629 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0596 -1.4874 -1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 1.5488 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6866 2.2954 1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7104 1.1385 1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3615 -1.6909 -1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8652 -1.5130 -1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6705 -1.0262 0.1872 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