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
-0.8166 2.3566 -0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5138 1.2729 -1.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.0113 -0.4969 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2496 -0.1782 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1811 -0.6581 -1.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4973 -0.8377 -0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9052 -0.5253 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9913 -0.0451 1.5083 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6694 0.1324 1.1526 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0144 -1.0583 -0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7057 -1.1476 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0555 2.3126 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0935 3.3270 -1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3889 1.2883 -1.6498 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8713 -0.9008 -2.0351 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2110 -1.2167 -1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9355 -0.6556 0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2837 0.2048 2.5192 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0815 0.5086 1.8374 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1403 -1.8146 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5764 -0.3895 1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3966 -1.9871 0.9301 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