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
3.2596 0.2018 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3935 -0.1606 -0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9579 -0.0862 -0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3502 0.3614 0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 0.4024 1.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8814 -0.0018 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2831 -0.4526 -1.1213 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0824 -0.4942 -1.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3106 0.0429 0.1703 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3348 0.1566 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8968 0.5698 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8146 -0.5296 -1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9749 0.6922 1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4738 0.7631 1.9687 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9469 -0.7742 -1.9269 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5530 -0.8522 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8192 0.9047 -0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8589 -0.7437 0.5516 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