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
3.2734 -0.4255 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3312 0.4051 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9190 0.2218 0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 1.1638 0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3747 1.0341 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8479 -0.0481 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9362 -0.9804 -0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4258 -0.8515 -0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2391 -0.1739 -0.5843 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0471 -1.3114 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2929 -0.2274 0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6030 1.2901 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3371 2.0100 1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0999 1.7801 0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2892 -1.8274 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1174 -1.6142 -0.7864 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8239 0.6589 -0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7045 -1.1042 -0.6700 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