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
3.2237 -0.5341 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3824 0.4739 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9336 0.2952 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3394 -0.9404 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0373 -1.1511 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8670 -0.0546 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2666 1.2007 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0900 1.4001 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2842 -0.1775 -0.0895 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3054 -0.3869 0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9269 -1.5722 0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8261 1.4645 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9757 -1.8336 0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4592 -2.1495 0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9747 2.0420 -0.1755 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5107 2.3900 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9053 0.3673 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7197 -0.8337 -0.7620 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