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
-2.0715 -2.2923 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6762 -1.3107 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1205 -0.0999 0.0683 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3065 -0.0227 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1018 -0.4971 -0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4734 -0.3900 -0.8442 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0370 0.2161 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2365 0.6894 1.2497 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8733 0.5841 1.1839 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9612 0.9328 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6809 2.2123 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0139 -2.2742 -1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4907 -3.1997 0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7693 -1.4030 1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6089 -0.9721 -1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0914 -0.7664 -1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1317 0.2910 0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6985 1.1561 2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2253 0.9703 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8731 0.6283 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7817 2.5725 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3454 2.9752 -0.6739 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