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
-3.1875 0.1426 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1259 -0.6069 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7755 -0.0735 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4856 1.2677 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8194 1.7458 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8771 0.8621 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6292 -0.5036 0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3152 -0.9323 0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6683 -1.4627 0.0821 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1859 -0.2900 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1360 1.2156 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2486 -1.6905 0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2764 1.9798 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9971 2.8117 -0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9084 1.1692 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0998 -2.0085 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4141 -1.3849 0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6929 -2.2415 -0.5951 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