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
3.2503 -0.3258 0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3712 0.0263 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9377 0.0312 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0680 0.4246 -1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2872 0.4340 -1.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8657 0.0702 0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0063 -0.3129 1.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3692 -0.3342 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2794 0.1012 0.2763 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9449 -0.6348 1.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 -0.3026 0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7184 0.3285 -1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5113 0.7170 -2.2591 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9612 0.7439 -1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4675 -0.6002 2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 -0.6438 1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8937 -0.7337 0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7270 1.0109 0.5331 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