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
-3.1963 -0.0466 0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3024 -0.7475 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9086 -0.3524 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0416 -1.1808 -0.6485 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2838 -0.8292 -0.8261 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8165 0.3329 -0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9681 1.1628 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3765 0.8160 0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1893 0.6334 -0.5481 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9298 0.8887 1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2020 -0.4052 0.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6142 -1.7007 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4293 -2.1029 -1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9468 -1.4986 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3514 2.0754 0.7735 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0169 1.4777 1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5247 1.3799 -1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9368 0.0970 -0.0492 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