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
3.1649 -0.4125 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9716 -0.8691 -0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7307 -0.1789 -0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7153 1.0571 0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5097 1.6775 0.7843 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6685 1.0424 0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6656 -0.2117 -0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4447 -0.8043 -0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9000 -0.8141 -0.5352 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0397 -0.9860 -0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2716 0.5428 0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9518 -1.8687 -0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6247 1.5617 0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5115 2.6448 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6175 1.5061 0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4249 -1.7881 -0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7739 -0.6606 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9538 -1.4384 -1.3635 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