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
-3.1457 0.5328 0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3327 -0.4596 0.4138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9201 -0.2452 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1169 -1.3594 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2164 -1.1920 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 0.0539 -0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0097 1.1315 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3317 0.9885 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2183 0.1522 -0.5854 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8190 1.5453 0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1911 0.3442 0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7078 -1.4682 0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5772 -2.3436 0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8506 -2.0694 -0.3952 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4806 2.1265 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9270 1.8703 0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6916 -0.5091 -1.2193 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7758 0.9011 -0.1262 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