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
3.1930 -0.2605 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0588 -0.8426 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7648 -0.1702 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6126 1.1272 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6459 1.7346 0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7854 1.0181 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 -0.2847 -0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4102 -0.8548 -0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8245 -1.0095 -0.5755 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2609 0.7528 0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1153 -0.8033 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0924 -1.8675 -0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4987 1.6991 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7236 2.7529 0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7573 1.4485 0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2743 -1.8853 -0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0364 -1.8991 -0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4795 -0.6557 -1.2974 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