Monomers
3-Vinylaniline
Identifiers
IUPAC name
3-ethenylaniline
InchI
InChI=1S/C8H9N/c1-2-7-4-3-5-8(9)6-7/h2-6H,1,9H2
InchI Key
IFSSSYDVRQSDSG-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)N
Canonical SMILES
C=CC1=CC(=CC=C1)N
Isomeric SMILES
C=CC1=CC(=CC=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
-3.1426 -0.3765 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9750 -0.9379 0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7438 -0.1953 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6747 1.1786 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5285 1.8492 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6895 1.1375 -0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6506 -0.2386 -0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -0.8679 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8500 -1.0115 -0.5477 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2832 0.6911 0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0024 -0.9994 0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9255 -2.0216 0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5876 1.7345 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5279 2.9456 -0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6374 1.6463 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4730 -1.9637 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6841 -0.5488 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8472 -2.0217 -0.2581 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
7 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
6 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