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
3.2080 0.3456 -0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3672 -0.5245 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9414 -0.2637 -0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3408 0.9028 -0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 1.0839 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8543 0.1191 0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2590 -1.0572 0.6571 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0996 -1.2371 0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2583 0.2936 0.4009 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2660 0.1010 -0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8951 1.3090 -1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7679 -1.4808 0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9445 1.6913 -0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5078 2.0089 -0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8696 -1.8592 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5900 -2.1582 0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7506 0.1973 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8818 0.5281 -0.4035 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