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
-3.2446 -0.4155 -0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3660 0.5538 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9384 0.2838 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0463 1.3593 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3203 1.1773 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8728 -0.0834 0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9987 -1.1492 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3863 -0.9719 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2833 -0.2945 0.0837 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9817 -1.4574 0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3240 -0.2245 -0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7557 1.5733 -0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4997 2.3478 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9821 2.0407 -0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4359 -2.1395 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0229 -1.8398 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9009 -0.1691 -0.7461 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7717 -0.5912 0.9686 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