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
3.1667 0.4359 -0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9556 0.9281 -0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7368 0.1941 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7390 -1.0862 0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4508 -1.7323 0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6720 -1.1114 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6619 0.1694 0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5018 0.8254 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9125 0.8487 -0.0709 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0429 0.9814 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3112 -0.5621 -0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8731 1.9493 -0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6824 -1.5997 0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4215 -2.7522 1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6196 -1.5584 0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5017 1.8430 -0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8102 0.4137 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9556 1.8133 -0.4839 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