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
0.2352 2.3653 -1.0719 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5888 2.0631 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8409 0.7051 0.1775 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2025 -0.2126 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8039 -0.4587 1.4371 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8464 -1.3506 1.5922 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3008 -2.0222 0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7212 -1.8003 -0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6813 -0.9003 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1658 0.2754 0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0820 0.2690 -0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6849 1.6057 -1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4384 3.4018 -1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0284 2.8596 0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.0585 2.3221 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2734 -1.4938 2.5842 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1064 -2.7134 0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1106 -2.3528 -1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2422 -0.7460 -1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4982 -0.0875 1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0703 -0.0745 -0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8339 0.6092 -1.5721 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