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
-3.2730 0.3814 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3500 -0.5404 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9227 -0.2951 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4003 0.9365 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9604 1.1390 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8731 0.1159 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3530 -1.1197 0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -1.3318 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2715 0.3206 -0.3458 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0637 1.4121 -0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3074 0.0966 0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6632 -1.5366 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0941 1.7672 -0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3654 2.1132 -0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0645 -1.9243 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4087 -2.3101 0.5881 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8769 0.7569 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7161 0.0187 -1.2336 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