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
-1.6179 2.5619 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4395 1.5727 -0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1188 0.2485 -0.2741 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2549 -0.0686 -0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9969 0.4002 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3286 0.1239 1.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9651 -0.6522 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2784 -1.1389 -0.9018 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9410 -0.8329 -1.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1835 -0.6270 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0080 -1.9040 0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5372 2.4457 1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8612 3.5537 -0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5358 1.7193 -1.7986 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4327 1.0110 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8821 0.5176 2.0104 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0362 -0.8542 0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8314 -1.7455 -1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4040 -1.2148 -1.8826 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2060 -0.2563 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0011 -2.3014 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8422 -2.5588 0.4592 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