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
-3.1467 -0.3147 0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0004 -0.9068 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7540 -0.1707 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6238 1.1901 0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6071 1.8426 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7187 1.0681 -0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6296 -0.3025 -0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3924 -0.8996 -0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7911 -1.0717 -0.6665 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1793 0.7492 0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0927 -0.8453 0.4056 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0501 -1.9839 -0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5004 1.8006 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6876 2.9156 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6665 1.6015 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3740 -1.9819 -0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8777 -2.0859 -0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6027 -0.6046 -1.0953 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