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
-3.2325 0.1521 -0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2476 -0.7159 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8726 -0.3587 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1191 -1.3295 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4442 -1.0826 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7986 0.2209 0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8734 1.2318 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4668 0.9212 0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1522 0.5559 0.5225 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2546 -0.1466 -0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0824 1.1922 -0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4942 -1.7447 -0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1919 -2.3558 -0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1849 -1.8849 -0.0675 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1622 2.2555 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1826 1.7338 0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6623 1.1867 -0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6281 0.1686 1.3456 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