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72252-43-8 | 4-ethoxy-N-[(E)-2-(1,3,3-trimethylindol-2-yl)ethenyl]aniline acetate
CAS No: 72252-43-8 Catalog No: AG005J3B MDL No:
Product Description
Catalog Number:
AG005J3B
Chemical Name:
4-ethoxy-N-[(E)-2-(1,3,3-trimethylindol-2-yl)ethenyl]aniline acetate
CAS Number:
72252-43-8
Molecular Formula:
C23H30N2O3
Molecular Weight:
382.4959
IUPAC Name:
4-ethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;acetate
InChI:
InChI=1S/C21H24N2O.C2H4O2/c1-5-24-17-12-10-16(11-13-17)22-15-14-20-21(2,3)18-8-6-7-9-19(18)23(20)4;1-2(3)4/h6-15H,5H2,1-4H3;1H3,(H,3,4)
InChI Key:
KYHAWQRSSYHRBB-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCOc1ccc(cc1)N/C=C/C1N(C)c2c(C1(C)C)cccc2
EC Number:
276-536-6
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
380.21g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.488g/mol
Monoisotopic Mass:
380.21g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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