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
2.8597 0.8499 0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2506 -0.3152 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8024 -0.4209 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2029 -1.6759 -0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1639 -1.8416 -0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9543 -0.7192 -0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4321 0.5536 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0388 0.6588 0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2448 1.7211 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3669 1.8003 0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9569 0.8807 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8458 -1.2184 0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8814 -2.5413 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5392 -2.8495 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0276 -0.8241 -0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3530 1.6562 0.1203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0969 2.5117 -0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0219 1.7738 0.6947 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