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
3.1565 0.7866 -0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3732 -0.2725 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9398 -0.1631 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2667 1.0158 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1076 1.0727 0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8053 -0.1133 0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1871 -1.3151 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1735 -1.3317 -0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2170 -0.1093 0.4372 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7607 1.7656 -0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 0.6738 -0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7932 -1.2580 -0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8219 1.9457 0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6143 2.0163 0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7978 -2.2235 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6578 -2.2744 -0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5786 -0.1048 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8678 -0.1109 -0.3659 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