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
2.5630 -1.4825 0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2323 -0.2296 0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8721 0.2356 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5352 1.5552 0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7532 2.0318 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7427 1.1373 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4665 -0.1845 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1371 -0.6242 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4889 -1.1065 -0.6206 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8823 -2.2754 -0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6022 -1.8303 0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0629 0.4410 0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3248 2.2625 0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0068 3.0748 0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7591 1.5343 -0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0048 -1.6740 -0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2514 -1.2823 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4741 -1.5832 -1.5302 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