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
-3.2925 0.0561 0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2895 -0.7733 0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8989 -0.3742 0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4777 0.9273 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8599 1.2626 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8495 0.3044 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4423 -1.0118 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1106 -1.3389 0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2295 0.6386 -0.2916 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1354 1.1057 0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2894 -0.3166 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5095 -1.8357 0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2436 1.7144 -0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1538 2.2873 -0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 -1.7649 0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2153 -2.3818 0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8124 1.0769 0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6811 0.4239 -1.2021 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