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
3.1811 0.4020 -0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3648 -0.4377 0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9339 -0.2302 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1135 -1.1454 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2521 -0.9895 0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8657 0.0660 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0174 0.9543 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3631 0.8312 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2794 0.2154 0.0576 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2644 0.1823 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9043 1.2849 -0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7830 -1.2972 0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5889 -1.9943 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8942 -1.7111 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5021 1.7917 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9556 1.5849 -1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7884 1.0277 0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8533 -0.5351 -0.3825 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