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
-1.3522 0.8980 -2.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9273 0.2690 -1.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2287 -0.1019 -0.1233 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1623 0.0711 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1312 -0.7769 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4860 -0.5592 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8978 0.5408 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9367 1.4251 0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5905 1.1813 0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9817 -0.6738 0.9469 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6752 -1.8343 1.4816 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9351 1.1662 -3.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3050 1.1271 -2.2128 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0008 0.0448 -1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8262 -1.6450 -1.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2200 -1.2643 -0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9646 0.7238 0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2589 2.2905 1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1570 1.8539 1.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8245 -0.0865 1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2587 -2.2418 2.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8278 -2.4079 1.1369 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