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
-3.2194 -0.1785 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2519 0.6700 -0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8538 0.3472 -0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5176 -0.8900 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8326 -1.1766 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8000 -0.2321 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4531 1.0015 -0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1374 1.3050 -0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1785 -0.4874 0.4926 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1310 -1.1801 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2481 0.1519 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4867 1.6488 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2431 -1.6687 0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0928 -2.1420 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2213 1.7586 -0.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1709 2.2761 -0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7060 -0.1385 1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7007 -1.0650 -0.2201 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