Monomers
4-Vinylaniline
Identifiers
IUPAC name
4-ethenylaniline
InchI
InChI=1S/C8H9N/c1-2-7-3-5-8(9)6-4-7/h2-6H,1,9H2
InchI Key
LBSXSAXOLABXMF-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)N
Canonical SMILES
C=CC1=CC=C(C=C1)N
Isomeric SMILES
C=CC1=CC=C(C=C1)N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H9N
Heavy Atom Count
9
Molecular Weight
119.167
Exact Molecular Weight
119.0735
Valence Electrons
46
Radical Electrons
0
tPSA
26.02
MolLogP
1.9118
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
18 18 0 0 0 0 0 0 0 0999 V2000
3.2367 0.5940 -0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3374 0.1443 0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9210 0.0207 0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0257 -0.4589 1.2857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3233 -0.5813 1.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8412 -0.2247 -0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9626 0.2552 -1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3986 0.3759 -0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2488 -0.3512 -0.4834 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0106 0.9221 -1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2924 0.6584 0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6766 -0.1533 1.6247 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4144 -0.7427 2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0247 -0.9643 1.7727 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3691 0.5411 -2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0417 0.7548 -1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9725 -0.1505 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6129 -0.6395 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
9 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers