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
3.0655 -0.0300 -0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8837 -0.5755 -0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7138 -0.0967 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 0.9629 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3881 1.3765 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5941 0.7460 1.0862 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6681 -0.3273 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5123 -0.7253 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8823 -1.0107 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8966 -0.4287 -1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2261 0.8044 -0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7711 -1.4508 -1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6935 1.5009 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3445 2.2271 1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4724 1.1122 1.6291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5246 -1.5689 -1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5603 -1.1234 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0793 -1.3927 -0.9379 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