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
-3.1829 -0.6562 -0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3773 0.2786 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9402 0.2000 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1704 1.2279 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2165 1.1739 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8532 0.0793 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0658 -0.9297 -0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3279 -0.8959 -0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 -0.0008 -0.2142 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2591 -0.5287 -0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8073 -1.5779 -0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8429 1.1643 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5896 2.1206 0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8121 2.0031 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5467 -1.7993 -1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8339 -1.7523 -1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8569 0.8475 -0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7029 -0.9542 -0.2680 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