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
-2.4250 -2.0102 0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4503 -1.5468 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9695 -0.2153 0.0171 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4548 0.0159 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9352 1.3040 0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2999 1.4829 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1790 0.4291 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6571 -0.8521 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3005 -1.0795 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8159 0.8837 0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1546 1.6538 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8100 -3.0124 0.5505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8425 -1.3468 1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0432 -2.2109 -0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2617 2.1421 0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7284 2.4681 0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2644 0.5903 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3413 -1.6910 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8933 -2.0960 -0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2140 1.1224 1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7810 1.4630 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8095 2.5057 -0.7418 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