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
-3.2672 -0.0233 -0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2534 -0.8453 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8723 -0.3944 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4756 0.9248 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8555 1.2832 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8418 0.3331 0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4559 -0.9833 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1396 -1.3544 0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1974 0.7189 0.1250 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1133 1.0489 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2938 -0.4134 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4824 -1.8980 -0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2435 1.6909 -0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1228 2.3539 -0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1976 -1.7632 0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1855 -2.3976 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8110 0.5721 -0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5654 1.1473 0.9871 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