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
3.1692 -0.8771 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4053 0.1809 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9574 0.1544 -0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2795 -0.9882 0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1179 -0.9789 0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8554 0.1593 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1804 1.3132 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2075 1.2847 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2709 0.1750 0.2082 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2536 -0.7503 -0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7745 -1.8446 0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 1.1418 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7782 -1.9093 0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6663 -1.8719 0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7518 2.2204 -0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7436 2.1996 -0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7963 0.8460 -0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7976 -0.4553 0.8511 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