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
2.7922 -1.0687 0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2707 -0.0828 -0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8404 0.1800 -0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3596 1.2566 -0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9646 1.6050 -1.0893 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8706 0.8379 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4544 -0.2322 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1042 -0.5425 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4126 -1.0019 1.0780 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1741 -1.7238 1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8562 -1.2579 0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9331 0.5611 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0769 1.8515 -1.5441 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2987 2.4531 -1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9145 1.1265 -0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2286 -1.4001 1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9588 -1.6929 0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5533 -0.8689 2.1003 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