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
3.2000 0.0718 0.6875 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4078 -0.3206 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9699 -0.1519 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3128 0.4159 0.9071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0823 0.5513 0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8659 0.1120 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2108 -0.4592 -1.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1511 -0.5958 -1.2139 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2889 0.2412 -0.0686 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8086 0.5306 1.5699 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2925 -0.0548 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8433 -0.7810 -1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8885 0.7727 1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5683 1.0024 1.7997 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8674 -0.7993 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6368 -1.0471 -2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8419 -0.6212 -0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7857 1.1329 0.1257 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