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
-3.1530 -0.2571 0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9976 -0.8611 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7461 -0.1660 0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7208 1.1638 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 1.7688 -0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6813 1.0503 -0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6786 -0.2941 0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4390 -0.8731 0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8617 -1.0577 0.2056 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2537 0.7732 -0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0572 -0.8272 0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9430 -1.9376 0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6175 1.7806 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5705 2.8218 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6462 1.5590 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4262 -1.9495 0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9098 -2.0760 -0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7432 -0.6180 0.5505 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