Monomers
n,n-Divinylaniline
Identifiers
IUPAC name
N,N-bis(ethenyl)aniline
InchI
InChI=1S/C10H11N/c1-3-11(4-2)10-8-6-5-7-9-10/h3-9H,1-2H2
InchI Key
ZARXZEARBRXKMO-UHFFFAOYSA-N
SMILES
C=CN(c1ccccc1)C=C
Canonical SMILES
C=CN(C=C)C1=CC=CC=C1
Isomeric SMILES
C=CN(C=C)C1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H11N
Heavy Atom Count
11
Molecular Weight
145.205
Exact Molecular Weight
145.0891
Valence Electrons
56
Radical Electrons
0
tPSA
3.24
MolLogP
2.78
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
22 22 0 0 0 0 0 0 0 0999 V2000
2.8968 -1.2336 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8668 -0.9641 0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 0.1004 -0.0356 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4045 -0.1292 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1809 -0.0028 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5437 -0.2307 -1.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2023 -0.5951 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4296 -0.7215 1.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0726 -0.4935 1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5058 1.3590 -0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6082 2.3194 0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0676 -0.6486 -1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5995 -2.0313 -0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6640 -1.5347 1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6563 0.2865 -2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1484 -0.1346 -2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2669 -0.7758 0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9626 -1.0087 2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4682 -0.5994 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8080 1.5133 -1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3228 2.2330 1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0006 3.2922 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
3 10 1 0
10 11 2 3
9 4 1 0
1 12 1 0
1 13 1 0
2 14 1 0
5 15 1 0
6 16 1 0
7 17 1 0
8 18 1 0
9 19 1 0
10 20 1 0
11 21 1 0
11 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers