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
3.1003 0.4207 0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9321 0.9779 0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7170 0.2198 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7523 -1.1470 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4341 -1.8439 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6199 -1.1593 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6849 0.2109 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5090 0.8829 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9141 0.9245 -0.4143 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3106 -0.6266 0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9650 1.0804 0.6681 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8440 2.0777 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6816 -1.7167 0.1861 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3481 -2.9210 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5275 -1.7316 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5051 1.9619 0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9277 1.9128 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8327 0.4767 -0.2098 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