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
3.2009 -0.7031 0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4192 0.3053 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9418 0.1932 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2759 -0.9815 0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1187 -1.0257 0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8626 0.0827 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2001 1.2579 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1747 1.2939 -0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2790 0.0436 -0.1462 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2710 -0.5603 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 -1.7122 0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8918 1.2586 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8464 -1.8571 0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6438 -1.9512 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7980 2.1246 -0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6877 2.2243 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8490 0.7019 -0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8107 -0.6950 0.3975 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