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
-1.3956 -2.5460 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6994 -1.4160 0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1173 -0.1698 -0.1077 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2955 0.0439 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1064 -0.9746 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4596 -0.7268 0.5176 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0134 0.4963 0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1927 1.5084 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8310 1.2513 -0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9595 0.8807 -0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2950 1.9064 0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8669 -3.4628 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6787 -2.6090 -1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4222 -1.4446 1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7377 -1.9491 0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0967 -1.5165 0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0832 0.6857 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6151 2.4649 -0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2189 2.0747 -0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3363 0.8337 -1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9366 2.6597 -0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9427 2.0093 1.2148 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