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
3.2015 0.1726 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3481 0.3834 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9331 0.1699 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0798 0.4180 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2573 0.2194 -1.1378 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8527 -0.2145 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0055 -0.4515 1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3850 -0.2642 0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2604 -0.3918 0.0744 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2659 0.3609 0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8644 -0.1645 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7044 0.7375 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5029 0.7626 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8882 0.4248 -2.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4310 -0.7953 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0046 -0.4638 1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8780 0.1263 -0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7167 -1.0300 0.7597 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