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
-3.2541 0.0804 -0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3194 -0.6970 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9075 -0.3416 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0681 -1.1970 0.6483 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4067 -0.9034 0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8649 0.2533 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8987 1.0933 -0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4485 0.8107 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2478 0.5709 -0.1100 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3072 -0.2281 -0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1174 1.0162 -0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5665 -1.6347 0.7255 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2630 -2.1084 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1603 -1.5697 0.9736 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2362 2.0113 -1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1907 1.5039 -0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6275 1.4497 0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8640 -0.1098 -0.6011 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