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
3.0696 0.5177 -0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9769 -0.1155 -0.9592 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7315 0.0439 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6180 0.9067 0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6030 1.0240 1.4611 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 0.3210 1.0994 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6054 -0.5420 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4107 -0.6855 -0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7192 -1.3182 -0.4217 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9985 0.3813 -1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1006 1.2145 0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0073 -0.8210 -1.8045 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4655 1.5152 1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6493 1.7128 2.2935 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6813 0.4331 1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2925 -1.3555 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7593 -1.6644 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5206 -1.5680 0.1941 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