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
-2.8359 -1.3022 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 -1.3583 -0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0888 -0.2156 0.1273 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3159 -0.1359 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0887 -0.6299 1.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4819 -0.5860 1.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1203 -0.0322 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3603 0.4629 -1.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9823 0.4145 -1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8094 0.8384 0.7206 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2435 2.0360 0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2772 -0.3544 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3141 -2.1949 -1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3540 -2.3631 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6334 -1.0733 1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0331 -0.9965 1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2091 -0.0117 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8671 0.8983 -1.9405 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4076 0.8132 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8400 0.7298 1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7564 2.8641 1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2308 2.1970 0.5286 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