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
3.2417 -0.4763 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3659 0.3022 -0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9383 0.1758 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3846 -0.7456 0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9997 -0.8336 0.8231 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8739 0.0144 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3237 0.9440 -0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0319 1.0319 -0.8888 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2819 -0.0479 0.3754 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3038 -0.3568 -0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9868 -1.2629 0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7539 1.0564 -1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0543 -1.4268 1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3843 -1.5727 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0203 1.6164 -1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4524 1.7648 -1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8200 -0.7722 -0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8096 0.5888 1.0119 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