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
3.1984 -0.3498 0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3623 -0.2344 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9145 -0.1663 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1050 -0.0454 -1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2649 0.0212 -1.2352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8554 -0.0308 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0160 -0.1514 1.0936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3599 -0.2206 0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2627 0.0354 0.1858 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2716 -0.3976 0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9199 -0.4056 1.6017 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7757 -0.1884 -1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5391 -0.0014 -2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9148 0.1179 -2.1232 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4676 -0.1940 2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9256 -0.3135 1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7075 -0.0267 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8832 0.1499 -0.6405 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