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
-1.9689 1.9538 -0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 0.9694 -0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0250 -0.1484 -0.5427 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3501 -0.0385 -0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0528 1.1378 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3888 1.2635 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0492 0.1067 0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4005 -1.1048 0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0820 -1.1549 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6923 -1.3920 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1472 -1.7600 0.7553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5656 1.8859 0.8724 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5390 2.8209 -0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1491 1.0069 -1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5136 2.0152 -0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9390 2.1912 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0955 0.2092 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9510 -1.9754 0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5419 -2.0895 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8321 -2.0290 -1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0227 -1.1543 1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6584 -2.7139 0.8272 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