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
-3.2167 0.4952 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3286 -0.4586 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9053 -0.2449 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3467 1.0032 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0113 1.1343 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8377 0.0515 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2786 -1.1945 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0821 -1.3584 -0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2749 0.2002 -0.2152 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9323 1.5170 0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2792 0.2365 -0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7190 -1.4864 -0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9888 1.8998 0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4537 2.1181 0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9279 -2.0420 -0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 -2.3651 -0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8325 -0.5284 -0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6966 1.0225 0.2270 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