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
1.1599 -3.0621 0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4364 -1.8273 0.7419 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6172 -0.6716 0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0434 0.5804 0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2805 1.6929 0.5997 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9002 1.5788 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3410 0.3562 -0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5591 -0.7705 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6591 2.7697 -0.3779 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2643 -3.2685 -0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7843 -3.9089 0.6283 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3664 -1.6972 1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9754 0.6472 1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5968 2.6764 0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2656 0.2665 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9294 -1.7250 -0.6357 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6695 2.6491 -0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2009 3.7140 -0.4065 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