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
2.7439 -1.2564 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2451 -0.1684 -0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8403 0.2040 -0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3672 1.3760 -0.8813 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9479 1.7838 -0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8412 0.9751 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4445 -0.2087 0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1031 -0.5576 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3562 -1.0479 1.1453 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1210 -1.9376 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7872 -1.4738 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8946 0.5123 -0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0571 2.0085 -1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2855 2.7128 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8846 1.2308 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1729 -1.4836 0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0208 -1.6375 1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3454 -1.0316 0.8301 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