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
3.1204 -0.2205 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0846 0.4501 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7365 0.0562 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4915 -1.0622 0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8153 -1.4249 0.9996 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8503 -0.6535 0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5952 0.4682 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3141 0.8442 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6460 1.2779 -0.7659 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1426 0.1180 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1144 -1.1131 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2568 1.3414 -0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2876 -1.7021 1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9768 -2.3060 1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8665 -0.9085 0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0862 1.7280 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3792 0.8149 -1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7049 2.2921 -0.5907 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