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
-3.1933 -0.8267 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4118 0.2073 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9646 0.1528 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1949 1.3088 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1777 1.3101 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8587 0.1440 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1477 -1.0191 0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2504 -0.9901 0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2871 0.1665 0.1416 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2696 -0.7403 -0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7705 -1.7919 0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8722 1.1677 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7444 2.2236 -0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7504 2.2280 -0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6370 -1.9532 0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7946 -1.9318 0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8155 0.0805 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7922 0.2638 1.0262 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