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
-3.2832 0.2155 -0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3367 -0.6594 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9139 -0.3293 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4241 0.9177 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9476 1.1879 -0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8715 0.2137 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3763 -1.0419 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0224 -1.2986 0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2675 0.4628 0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0684 1.2383 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3442 -0.0570 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6800 -1.6665 0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1110 1.7012 -0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3284 2.1597 -0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1141 -1.8083 0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3514 -2.2868 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6879 1.3981 0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 -0.3473 -0.0769 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