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
-2.3536 -1.5755 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7765 -1.1886 -0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9241 -0.0816 -0.6466 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4084 -0.0812 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2407 1.0120 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5375 1.0003 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9924 -0.1484 0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2011 -1.2574 0.9522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9157 -1.2153 0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4001 1.0916 -1.2821 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9035 2.0400 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9925 -2.4460 0.5733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1989 -1.0350 1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9735 -1.7706 -1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8724 1.9230 -0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1907 1.8793 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0237 -0.1400 1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5416 -2.1569 1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2382 -2.0539 0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3775 1.2579 -2.3452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2925 2.9789 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9697 1.9674 0.5582 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