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
-3.2109 0.3456 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3092 -0.5521 0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9022 -0.2706 0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4120 0.9411 -0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9522 1.1385 -0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8230 0.1290 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3174 -1.0810 0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0327 -1.3128 0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2275 0.3128 0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9452 1.3293 -0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2606 0.0672 0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6316 -1.5226 0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0716 1.7779 -0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3463 2.1120 -0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0146 -1.8987 0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3968 -2.2803 1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6196 0.9561 -0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8724 -0.1915 0.7178 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