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
-2.7089 1.2507 -0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2286 0.0353 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8197 -0.2882 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4327 -1.6261 -0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 -1.9413 -0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8631 -1.0016 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4622 0.3076 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1289 0.6745 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4089 1.3278 0.5436 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0970 2.1079 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7822 1.4085 -0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9128 -0.7721 -0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1903 -2.3690 -0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1903 -2.9695 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9031 -1.2278 0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1678 1.7129 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3206 1.3044 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1652 2.0661 1.2356 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