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
-2.8302 -1.0353 -0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2640 0.0891 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8346 0.3318 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3061 1.5603 0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0462 1.8198 0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9458 0.8471 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4576 -0.3742 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0807 -0.6311 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3525 -1.3994 -0.6039 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2912 -1.9155 -0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9230 -1.1705 -0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9077 0.9143 0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0331 2.3293 0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4181 2.8042 0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0145 1.0011 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2910 -1.6134 -0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6271 -1.5048 -1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7384 -2.0528 0.0984 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