Monomers
4-Vinylaniline
Identifiers
IUPAC name
4-ethenylaniline
InchI
InChI=1S/C8H9N/c1-2-7-3-5-8(9)6-4-7/h2-6H,1,9H2
InchI Key
LBSXSAXOLABXMF-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)N
Canonical SMILES
C=CC1=CC=C(C=C1)N
Isomeric SMILES
C=CC1=CC=C(C=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
3.1144 0.8895 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3397 0.1694 -0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 0.0190 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1330 -0.7623 -0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2046 -0.9159 -0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8179 -0.3205 0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0241 0.4479 1.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3435 0.6220 0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1898 -0.4982 0.6496 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1858 1.0159 0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7721 1.3983 1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7395 -0.3458 -1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6165 -1.2383 -1.8082 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8186 -1.5285 -1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4957 0.9156 2.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8873 1.2413 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8939 0.2521 0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6157 -1.3614 1.0771 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
6 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
7 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