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
-3.1557 -0.2437 -0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4201 -0.0835 0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9611 -0.0234 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2461 0.1467 1.3202 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1296 0.2093 1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8696 0.1015 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1587 -0.0685 -0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2196 -0.1311 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2973 0.1621 0.2002 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7847 -0.3479 -1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2282 -0.2757 -0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9097 0.0103 1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8253 0.2324 2.2395 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6759 0.3434 2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7372 -0.1529 -1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7610 -0.2649 -1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8514 -0.4683 0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7918 0.8540 -0.4020 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