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
3.1215 0.4520 0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0979 -0.2706 0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7725 0.0076 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4861 1.0414 -0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8201 1.2435 -1.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8781 0.4609 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5486 -0.5707 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2687 -0.8066 0.5771 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6416 -1.3907 0.5697 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0826 1.2916 -0.4056 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1017 0.2059 0.6398 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2515 -1.1001 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2750 1.7169 -1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9936 2.0817 -1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8874 0.6455 -1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0758 -1.6392 1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6477 -1.7799 1.5116 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4271 -1.5892 -0.0788 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