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
-3.2488 0.3484 0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3501 -0.5346 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9294 -0.2644 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0597 -1.2971 -0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3089 -1.0988 -0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8764 0.1007 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9830 1.1186 0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3721 0.9233 0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2732 0.3251 0.0514 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9927 1.3499 0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2887 0.1108 0.2662 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6971 -1.5353 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4574 -2.2506 -0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9676 -1.9094 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 2.0662 0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0109 1.7384 0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7616 0.6107 0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8080 0.1982 -0.8249 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