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
3.2334 -0.6856 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3885 0.3183 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9497 0.2017 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1556 1.3413 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2196 1.2860 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8400 0.0654 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1045 -1.0928 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2858 -0.9886 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2656 0.0108 -0.2036 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3007 -0.5408 0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8397 -1.6810 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8383 1.3174 0.2254 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6240 2.2941 0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8534 2.1621 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5859 -2.0687 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8466 -1.9195 -0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8418 -0.2278 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7517 0.2077 -1.0872 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