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
3.2183 0.6095 0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4205 -0.0488 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9655 -0.0698 -0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2502 0.6164 0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1271 0.5775 0.8526 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8758 -0.1530 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1771 -0.8458 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1993 -0.8053 -1.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3076 -0.1889 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2837 0.5761 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8259 1.1980 1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8643 -0.6304 -1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8290 1.2014 1.5125 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6751 1.1253 1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7496 -1.4312 -1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7512 -1.3567 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8244 -0.9204 0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8712 0.5461 -0.4556 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