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
3.1613 0.8976 -0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1538 1.0606 0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8313 0.4628 0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1862 0.6894 1.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4436 0.1426 1.2509 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7523 -0.6702 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7516 -0.9058 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5231 -0.3492 -0.5951 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0436 -1.2497 0.0143 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0538 0.2867 -1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1037 1.3715 0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2902 1.6949 1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0554 1.3288 2.2291 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2257 0.3405 1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9885 -1.5461 -1.5823 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2627 -0.5665 -1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7894 -0.8708 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2545 -2.1170 0.5502 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