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
-2.8597 -1.3387 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 -1.4168 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8762 -0.2670 -0.4557 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -0.1397 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1099 -1.0785 0.7206 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4279 -0.9706 1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1644 0.1312 0.7463 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5542 1.1047 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2403 0.9666 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5166 0.6984 -1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9437 1.8522 -0.7459 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4216 -2.1992 0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3368 -0.3802 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1271 -2.4101 -0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5494 -1.9700 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9049 -1.7266 1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2023 0.2508 1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1602 1.9660 -0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8046 1.7419 -1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7026 0.5563 -2.3187 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4383 2.6035 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7729 2.0257 0.3284 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