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
-3.2013 -0.1036 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0566 -0.7563 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7446 -0.1488 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6235 1.2154 -0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6486 1.7985 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7577 0.9702 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6614 -0.4045 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3852 -0.9377 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8220 -1.2267 -0.0286 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2210 0.9688 0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1633 -0.6102 0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1395 -1.8560 0.1444 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4499 1.9071 -0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7411 2.8825 -0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7582 1.4163 -0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2909 -2.0287 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3182 -1.5178 0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2164 -1.5686 -0.9260 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