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
3.1766 -0.3188 -0.3519 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0132 -0.9242 -0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7527 -0.2118 -0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6954 1.1611 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5366 1.7967 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7261 1.1138 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -0.2637 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4567 -0.8967 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9048 -1.0117 -0.0326 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0964 -0.9286 -0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3075 0.7401 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9761 -2.0147 -0.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6179 1.7700 -0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5595 2.8770 -0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6947 1.6237 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4049 -1.9709 -0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2777 -1.3754 0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3991 -1.1657 -0.9395 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