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
1.7811 2.1043 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7476 1.0102 -0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9803 -0.1324 -0.2531 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4262 -0.1471 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1534 -1.2723 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5321 -1.2700 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2396 -0.1111 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5440 1.0314 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1671 1.0056 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6848 -1.3378 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8262 -1.3955 0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3930 2.9289 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2225 2.2444 1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3483 0.9566 -1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6523 -2.2005 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0970 -2.1526 0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3285 -0.0657 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0378 1.9846 -0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6365 1.9076 -0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2561 -2.2579 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3029 -2.3470 0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2715 -0.4837 1.0176 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