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
-2.4229 -1.9595 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4796 -1.2445 -0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9479 -0.0607 -0.3209 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4502 0.0764 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1773 0.8180 -1.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5401 0.9866 -1.0253 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2485 0.4202 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5332 -0.3076 0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1683 -0.4820 0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7827 0.9990 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2943 1.1519 1.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7773 -2.8599 -0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8904 -1.7124 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1010 -1.5986 -1.7935 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5925 1.2518 -1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0082 1.5829 -1.7993 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3079 0.5872 0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0759 -0.7587 1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6198 -1.0716 1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0117 1.7482 -0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9285 2.0022 1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0857 0.4309 2.0559 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