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
3.1516 -0.1834 0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0293 -0.8358 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7698 -0.1418 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6456 1.2050 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6061 1.8218 -0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7137 1.0124 -0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6408 -0.3572 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3923 -0.9194 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8210 -1.1494 -0.2139 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1643 0.8830 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0810 -0.7159 0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0764 -1.9359 0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4772 1.8587 0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6684 2.9060 -0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6924 1.4761 -0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3456 -1.9964 0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7427 -0.8558 0.1697 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7723 -2.0722 -0.6733 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