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
-1.5966 2.1617 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4094 1.0509 1.1544 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9249 -0.1350 0.5645 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4345 -0.1490 0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2497 0.9508 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5479 0.9240 -0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0939 -0.1992 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2506 -1.2845 -0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9577 -1.2804 -0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7111 -1.3120 0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8970 -1.2850 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9685 3.0642 0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3882 2.2306 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6319 1.0340 2.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8718 1.8547 0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2076 1.7887 -0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1138 -0.2345 -1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6589 -2.1851 -1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3241 -2.1767 -0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3567 -2.2664 0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4888 -2.1788 -0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3375 -0.3730 -0.5575 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