Monomers
3-Vinylaniline
Identifiers
IUPAC name
3-ethenylaniline
InchI
InChI=1S/C8H9N/c1-2-7-4-3-5-8(9)6-7/h2-6H,1,9H2
InchI Key
IFSSSYDVRQSDSG-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)N
Canonical SMILES
C=CC1=CC(=CC=C1)N
Isomeric SMILES
C=CC1=CC(=CC=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
-2.5131 -1.6048 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1771 -0.3998 -0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8374 0.1373 -0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6060 1.4572 -0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6426 2.0021 -0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6793 1.2074 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 -0.0754 0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2046 -0.6094 0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5066 -0.8660 0.8722 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7971 -2.2860 0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5329 -1.9293 -0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9530 0.2692 -0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4126 2.0654 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8469 3.0270 -0.8836 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6589 1.6518 0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0384 -1.6196 0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5548 -1.8683 0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2325 -0.5587 1.5451 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
7 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
6 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