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
2.7995 1.0121 0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2809 -0.1574 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8466 -0.3523 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3336 -1.6195 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0220 -1.8525 -0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9150 -0.8307 -0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4566 0.4322 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0883 0.6275 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3637 1.5177 0.4728 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8872 1.1284 0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2550 1.9203 0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9297 -0.9882 -0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0282 -2.4424 -0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3714 -2.8520 -0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0001 -0.9939 -0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2562 1.6188 0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0933 2.5103 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3066 1.3215 0.8528 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