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
3.1794 0.5050 0.6776 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3442 0.5738 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9313 0.2447 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0963 0.3466 -1.3218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2382 0.0410 -1.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8265 -0.3746 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0245 -0.4802 1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3355 -0.1694 0.9648 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2285 -0.6883 0.0093 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2181 0.7632 0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8436 0.1945 1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7348 0.9003 -1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5356 0.6727 -2.2616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9149 0.1112 -2.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4155 -0.7980 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9522 -0.2615 1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9168 -0.1958 -0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6062 -1.3852 0.6612 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