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
2.0059 1.8787 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5848 1.2134 0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9399 -0.0313 0.1443 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4773 -0.0381 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0474 0.4760 -1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4190 0.4187 -1.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1703 -0.1641 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6419 -0.6957 0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2538 -0.6116 0.8968 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6563 -1.2577 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6841 -1.4487 -0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8771 1.5019 -1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5070 2.8543 -0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7356 1.6293 1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4412 0.9293 -1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8849 0.8290 -2.2853 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2553 -0.2271 -0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2231 -1.1539 1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7785 -1.0056 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3559 -2.0170 0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 -2.3756 -0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0139 -0.7045 -1.2675 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