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
2.4190 1.2959 1.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2507 0.3882 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9159 -0.0717 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7471 -1.0585 -1.1396 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5131 -1.4928 -1.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6320 -0.9820 -0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5029 -0.0152 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2301 0.4102 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6563 0.5341 0.7847 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6501 1.7793 1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4547 1.6061 1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0902 -0.0415 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6412 -1.4332 -1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6232 -2.2582 -2.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6321 -1.3152 -1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 1.1832 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6873 0.7995 1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5152 0.6717 0.2153 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