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
-3.1814 -0.2796 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9919 -0.8320 -0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7531 -0.1685 -0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6861 1.1111 0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5324 1.7028 0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7209 1.0273 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6724 -0.2547 0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4705 -0.8356 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8740 -0.9902 -0.1134 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2617 0.7136 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0803 -0.8346 -0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9456 -1.8440 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5992 1.6794 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5149 2.7114 1.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6841 1.4767 0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4127 -1.8550 -0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6591 -0.6125 -0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9585 -1.9156 0.3244 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