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
-3.2661 -0.3909 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3837 0.4449 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9320 0.2354 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3273 -0.8695 -0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0434 -1.0334 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8563 -0.0631 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2721 1.0615 0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0957 1.2010 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2845 -0.2322 0.0703 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9536 -1.3082 -0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3088 -0.1538 -0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7281 1.3655 0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9762 -1.6382 -0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4771 -1.9420 -0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9269 1.8088 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5243 2.0981 1.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8850 0.1297 0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7505 -0.7137 -0.7094 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