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
-2.4454 1.6649 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5499 1.2879 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8853 0.0542 -0.5978 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4542 0.0037 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4050 0.7805 -0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7182 0.7637 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1196 -0.0034 0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1803 -0.7756 1.3303 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8599 -0.7677 0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5300 -1.1502 -0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1938 -1.8017 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9673 2.6191 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7079 1.0648 1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3684 1.9798 -1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1143 1.4054 -1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4442 1.3811 -0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1464 -0.0430 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5076 -1.3927 2.1819 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1278 -1.3752 1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4624 -1.5024 -1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2724 -1.4572 1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6946 -2.7360 -0.2701 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