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
-3.1686 -0.1593 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0407 -0.8204 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7779 -0.1613 0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6264 1.1831 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6159 1.7385 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7743 1.0002 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6497 -0.3457 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4153 -0.9004 0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8311 -1.1416 -0.0528 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2621 0.9006 0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1317 -0.6762 0.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0542 -1.8733 0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5258 1.8190 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6964 2.7924 -0.5994 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7600 1.4589 -0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3071 -1.9574 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2782 -1.2631 0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2594 -1.5940 -0.8770 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