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
2.8138 -0.9460 0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2436 0.2088 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8007 0.3729 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3034 1.6202 -0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0609 1.8155 -0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9124 0.7781 -0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4537 -0.4818 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0603 -0.6458 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3173 -1.5511 0.5108 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2544 -1.8366 0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8965 -1.0581 0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9198 1.0224 -0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9833 2.4494 -0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4455 2.7928 -0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0012 0.9496 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2824 -1.6288 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4279 -1.8141 1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8187 -2.0473 -0.2367 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