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
-3.1072 0.9235 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3754 -0.1255 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9462 -0.1127 -0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2142 -1.2734 -0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1469 -1.2986 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8388 -0.2007 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0882 0.9164 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2837 0.9898 0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2488 -0.2597 0.3210 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2010 0.8601 -0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7118 1.8535 0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8655 -1.0334 -0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7553 -2.1424 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6909 -2.2022 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6472 1.7842 0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7866 1.9249 0.4888 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9175 0.4253 -0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6685 -1.0289 0.8903 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