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
3.0840 -0.7226 0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3632 -0.4278 -0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9444 -0.1625 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2507 0.1468 -1.3314 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0921 0.4081 -1.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8215 0.3844 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1122 0.0768 1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2417 -0.1916 1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2147 0.6600 -0.0678 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6650 -0.7797 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1376 -0.9183 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8369 -0.3827 -1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7675 0.1805 -2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6696 0.6552 -2.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6393 0.0454 1.9904 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7560 -0.4298 1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6433 1.5547 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8544 -0.0968 -0.3820 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