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
-3.1104 0.6875 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3047 0.7581 -0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9073 0.3218 -0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3254 -0.1885 0.9509 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9972 -0.5905 0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8235 -0.5038 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2338 0.0111 -1.2549 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0821 0.4115 -1.2988 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1805 -0.9140 -0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8611 0.3206 1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1322 1.0213 0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7064 1.1522 -1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9476 -0.2716 1.8426 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4436 -0.9926 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8659 0.0903 -2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5472 0.8168 -2.1983 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5263 -1.6796 -0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8537 -0.4507 0.5606 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