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
3.1599 0.2231 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0535 0.7851 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7664 0.1566 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5996 -1.0506 0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6602 -1.5977 0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7797 -0.9516 0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6478 0.2753 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3771 0.7898 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7665 0.9639 -0.8469 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1329 0.7156 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2302 -0.7134 0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0811 1.7264 -0.7178 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4396 -1.5868 1.0417 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8264 -2.5511 1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7813 -1.3469 0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2886 1.7442 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2710 1.6306 -0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0650 0.7875 -1.8112 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