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
3.2375 -0.5393 -0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4025 0.4350 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9643 0.2304 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 1.3208 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2510 1.1907 0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8690 -0.0265 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0566 -1.1133 -0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3369 -0.9784 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2851 -0.1467 0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8884 -1.5382 -0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3157 -0.3238 -0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7736 1.4485 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5780 2.3021 0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 2.0533 0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5273 -2.0738 -0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9267 -1.8553 -0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7957 -0.2243 1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8552 -0.1612 -0.7455 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