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
-1.4692 -2.1741 0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8742 -0.9333 0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1892 0.0233 -0.0096 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2179 0.0146 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8833 -0.4133 -1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2562 -0.4573 -1.2852 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9889 -0.0619 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3858 0.3767 0.9783 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0149 0.4029 1.0144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9239 0.9701 -0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9757 2.2388 -0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0388 -2.8487 1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 -2.5257 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8088 -0.6568 1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2343 -0.7116 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7361 -0.8026 -2.2092 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0655 -0.1151 -0.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0259 0.6732 1.8029 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5485 0.7487 1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4880 0.6394 -1.6396 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 2.6693 0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5521 2.9431 -1.0363 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