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
3.2108 0.0165 0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1040 -0.6562 0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7737 -0.1025 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5601 1.2135 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7143 1.7056 -0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8128 0.8569 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6328 -0.4658 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3578 -0.9085 0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7830 -1.2937 -0.0024 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1841 1.0632 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1554 -0.4859 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1242 -1.7179 0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4073 1.8890 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8212 2.7540 -0.7734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7750 1.3005 -0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2227 -1.9660 0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0486 -1.6187 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3513 -1.5839 -0.8186 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