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
-2.4315 -0.4376 1.8813 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1124 0.2132 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1530 -0.2008 -0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1978 0.1597 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 -0.5408 0.8653 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3370 -0.2144 1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8337 0.9050 0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0413 1.6611 -0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7288 1.2778 -0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5358 -0.9455 -1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7700 -1.1407 -2.3361 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1795 -0.0593 2.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9159 -1.3892 2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6435 1.1649 0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6266 -1.4233 1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0198 -0.7477 1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8598 1.2115 0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4355 2.5414 -0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0570 1.8169 -1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5365 -1.3991 -1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1189 -1.7129 -3.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2229 -0.7401 -2.3448 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