Monomers
4-Vinylaniline
Identifiers
IUPAC name
4-ethenylaniline
InchI
InChI=1S/C8H9N/c1-2-7-3-5-8(9)6-4-7/h2-6H,1,9H2
InchI Key
LBSXSAXOLABXMF-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)N
Canonical SMILES
C=CC1=CC=C(C=C1)N
Isomeric SMILES
C=CC1=CC=C(C=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
-3.2037 0.5034 -0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3537 -0.4842 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9284 -0.2644 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3380 0.9704 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0261 1.1454 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8413 0.0469 0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2705 -1.2045 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0747 -1.3658 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2459 0.2079 0.5678 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8962 1.5301 -0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2421 0.3116 -0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7291 -1.5212 -0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9655 1.8443 -0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4517 2.1466 0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9325 -2.0516 0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5253 -2.3525 -0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7018 1.1205 0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7870 -0.5828 0.9594 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
6 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
7 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