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
-2.8995 0.6751 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1364 -0.3804 -0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7285 -0.4502 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0451 -1.6232 -0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3050 -1.7287 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9781 -0.6168 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3149 0.5749 0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0545 0.6487 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0009 1.7398 0.9360 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9609 0.6837 -0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4801 1.6039 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6440 -1.2870 -0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5475 -2.5046 -0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8503 -2.6532 -0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0438 -0.6525 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5076 1.6132 0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5276 2.3848 1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9835 1.9724 0.6191 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