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
-3.2992 0.1870 0.2413 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3445 0.1336 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9149 0.0755 -0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0412 0.0205 -1.3512 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3906 -0.0351 -1.1075 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8345 -0.0375 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9357 0.0152 1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4131 0.0703 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2299 -0.0944 0.4826 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3204 0.2273 -0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0663 0.1904 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5789 0.1297 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3136 0.0224 -2.3874 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1202 -0.0772 -1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2977 0.0128 2.2455 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1370 0.1126 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6490 0.3444 1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8891 -0.5921 -0.1610 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