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
-3.2467 0.3168 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3136 -0.5845 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9021 -0.2835 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3952 0.9925 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9793 1.1971 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8421 0.1382 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3623 -1.1478 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0004 -1.3412 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2328 0.3649 -0.1097 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3088 0.0499 0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0644 1.3809 0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6465 -1.6266 0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0914 1.8058 0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3768 2.1989 0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0549 -1.9914 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3808 -2.3674 -0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7464 0.1972 -0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7555 0.7001 0.7204 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