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
-2.9866 1.2397 0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4276 0.2335 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9874 0.0305 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4454 -1.0661 -0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9119 -1.2770 -0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8170 -0.4372 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2989 0.6421 0.5082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0854 0.8627 0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2083 -0.6865 -0.2415 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3972 1.9654 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0612 1.3693 0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0858 -0.4832 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1304 -1.7272 -1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3505 -2.1320 -1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9840 1.3141 0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4427 1.7233 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8681 0.0020 -0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6109 -1.5734 0.1114 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