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
3.1187 0.4374 0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0996 -0.2852 0.6665 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7686 0.0090 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5062 1.0331 -0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7881 1.2771 -1.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8318 0.4843 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5839 -0.5489 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3205 -0.7863 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6276 -1.3955 0.5594 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0203 1.2526 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1262 0.2325 0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2155 -1.1389 1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2892 1.6874 -1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9741 2.0998 -1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8395 0.6826 -1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1178 -1.5995 1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1777 -2.0061 -0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8832 -1.4355 1.5700 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