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
-3.2004 0.4740 -0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3498 -0.5007 -0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9259 -0.2908 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3309 0.9509 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0235 1.1468 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8485 0.0678 0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2664 -1.1826 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0779 -1.3755 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2456 0.2455 0.5644 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9553 1.5256 -0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2555 0.2436 -0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7251 -1.5121 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9875 1.8140 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4510 2.1407 0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9490 -2.0212 0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5025 -2.3745 0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9700 -0.4378 0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5569 1.0863 1.0672 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