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
-3.1850 0.2375 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3190 -0.5605 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9053 -0.3097 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4028 0.8108 -0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9682 1.0850 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8120 0.1782 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3101 -0.9532 0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0280 -1.2239 0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 0.3744 0.0530 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9116 1.1401 -0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2676 0.0341 -0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6807 -1.4617 0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0308 1.5743 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3422 1.9875 -1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0091 -1.6673 1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3986 -2.1264 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7299 0.5465 0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7257 0.3344 -0.8606 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