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
-3.1399 -0.9667 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4128 0.1232 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9715 0.1384 -0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2248 -1.0028 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1655 -1.0017 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8507 0.1947 0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1131 1.3525 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2541 1.3427 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2595 0.2662 0.3427 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6978 -1.9350 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2108 -0.8950 -0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8974 1.1096 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7260 -1.9619 0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7261 -1.9104 0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6776 2.2916 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8104 2.2627 -0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6434 0.4574 1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9095 0.1346 -0.4491 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