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
-1.7548 -2.2761 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0961 -1.1199 0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2898 0.0353 0.1879 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1368 -0.0182 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9299 0.0955 1.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3070 0.0533 1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9588 -0.1046 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1646 -0.2195 -1.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7762 -0.1772 -1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9227 1.3251 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2659 2.3969 -0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8387 -2.4747 -0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4135 -3.1401 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0475 -1.0462 0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4641 0.2237 2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9238 0.1440 2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0427 -0.1380 -0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6811 -0.3461 -2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1943 -0.2723 -2.0561 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9604 1.4060 0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2282 2.2989 -0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7614 3.3544 -0.1765 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