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
2.7665 -0.9851 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2161 0.1852 -0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7926 0.3418 -0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3197 1.6605 -0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0121 1.8780 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8793 0.8288 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4327 -0.4740 0.3172 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0685 -0.6959 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2999 -1.5668 0.5908 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8220 -1.1116 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2059 -1.8734 -0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8627 1.0338 -0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9951 2.4928 -0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4531 2.8843 -0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9408 0.9796 0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2893 -1.7079 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3067 -1.9564 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8770 -1.9138 -0.1914 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