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
3.1756 0.5734 -0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4053 0.1623 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 0.0511 0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2271 0.3597 -0.9888 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1657 0.2184 -0.9763 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8531 -0.2264 0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1154 -0.5386 1.2622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2555 -0.3934 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2700 -0.3683 0.1389 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2595 0.6368 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6905 0.8400 -1.6913 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9154 -0.1062 1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7180 0.7124 -1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7448 0.4666 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6574 -0.8872 2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8135 -0.6442 2.1304 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7079 -1.2917 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9060 0.4351 -0.0510 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