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
2.5970 -1.3020 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1129 -0.0782 0.9051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7743 0.2823 0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2753 1.5594 0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9760 1.9252 0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7943 1.0172 -0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3232 -0.2621 -0.6551 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0539 -0.6354 -0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1470 -1.2485 -1.2951 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5982 -1.4854 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1054 -2.1231 0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6787 0.7151 1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9169 2.2903 1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3626 2.9410 0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7859 1.2389 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2585 -1.6453 -0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9890 -1.4641 -2.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8853 -1.7255 -0.7241 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