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
-2.2350 -1.9971 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8506 -0.8750 0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0679 0.0794 0.0223 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3386 -0.0238 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 0.8831 -0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5048 0.7907 -0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1126 -0.2280 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3445 -1.1447 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9671 -1.0401 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7225 1.1048 -0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8336 2.2965 -0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8221 -2.6953 0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9384 -2.1618 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1285 -0.6616 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6141 1.6829 -1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1086 1.5166 -1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2073 -0.3330 0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7894 -1.9672 1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3949 -1.7828 1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1243 0.8959 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3345 3.0866 -0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4453 2.5739 0.8145 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