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
3.2664 0.0396 -0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3741 -0.3732 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9423 -0.1802 0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3656 0.4587 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0152 0.6167 -0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8850 0.1421 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3075 -0.4987 1.0602 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0507 -0.6594 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2879 0.3054 -0.1404 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3142 -0.1281 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9682 0.5542 -1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7140 -0.8893 1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0277 0.8472 -1.6427 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4281 1.1221 -1.8349 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9697 -0.8900 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5029 -1.1682 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8337 -0.4086 -0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7990 1.1097 0.2598 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