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
3.1822 0.5524 -0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3842 -0.2250 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9444 -0.1404 0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 0.7464 -0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0536 0.7873 -0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8571 -0.0540 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2246 -0.9538 0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1291 -0.9945 1.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2772 -0.0418 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2620 0.4467 -0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8748 1.2900 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7950 -0.9449 1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9260 1.4245 -1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5072 1.4885 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8300 -1.6353 1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6162 -1.6921 1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8458 0.7901 0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8386 -0.8442 -0.3748 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