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
3.2640 0.2976 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3616 -0.4988 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9311 -0.2738 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3835 0.8027 -0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9882 1.0244 -0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8649 0.1272 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3291 -0.9637 0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0273 -1.1807 0.7187 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2898 0.3090 -0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0053 1.1892 -0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3152 0.0827 -0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7061 -1.3915 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0503 1.5327 -0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3817 1.8869 -1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0307 -1.6649 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4455 -2.0362 1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6827 0.5931 -1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9228 0.1641 0.6931 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