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
2.8338 0.9768 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2536 -0.2087 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8176 -0.4082 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2747 -1.6765 -0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0743 -1.8691 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9172 -0.7999 0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4275 0.4845 0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0577 0.6444 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2968 1.6000 0.3768 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2933 1.8991 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9052 1.0610 -0.3526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8630 -1.0912 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9598 -2.5252 -0.3478 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4611 -2.8733 -0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9967 -0.9219 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2973 1.6559 0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0218 2.4286 0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2451 1.6236 -0.0682 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