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
-2.7172 1.1287 0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1775 0.1462 -0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7766 -0.1977 -0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2352 -1.2677 -1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0898 -1.6044 -1.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9004 -0.8804 -0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3858 0.1673 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0283 0.5125 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1671 0.9466 1.4800 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8020 1.3061 -0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2082 1.7644 0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8008 -0.4512 -1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9018 -1.8076 -1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5332 -2.4213 -1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9424 -1.1494 -0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3438 1.3386 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0420 0.8826 2.5142 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 1.5865 1.0308 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