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
2.5914 -1.4792 -0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2324 -0.2140 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8641 0.2204 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6144 1.5932 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6836 2.0098 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7287 1.1311 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5008 -0.2329 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1858 -0.6392 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5545 -1.1588 0.4359 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8550 -2.2401 -0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6140 -1.7756 -0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9984 0.5470 -0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4125 2.3091 -0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8507 3.0939 0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7234 1.5150 0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0379 -1.7051 0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5226 -0.8479 0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3940 -2.1265 0.7649 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