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
2.5246 -0.8233 1.9421 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1264 0.1470 1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8640 0.1099 0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0306 -0.9240 0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2301 -0.8933 -0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5710 0.1823 -1.0189 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6742 1.2306 -1.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5042 1.2004 -0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7910 0.2218 -1.7585 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 -0.7643 2.4626 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9257 -1.6983 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7960 1.0223 1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2087 -1.7924 1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9034 -1.7191 -0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9440 2.0818 -1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2074 2.0219 -0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9508 -0.5488 -2.4396 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5259 0.9456 -1.6769 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