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Home > Indoles and Oxindole > 130628-38-5
130628-38-5 | 1H-Indol-5-ol, 1-[6-(1-aziridinyl)hexyl]-2-(4-hydroxyphenyl)-3-methyl-
CAS No: 130628-38-5 Catalog No: AG000UPW MDL No:
Product Description
Catalog Number:
AG000UPW
Chemical Name:
1H-Indol-5-ol, 1-[6-(1-aziridinyl)hexyl]-2-(4-hydroxyphenyl)-3-methyl-
CAS Number:
130628-38-5
Molecular Formula:
C23H28N2O2
Molecular Weight:
364.4806
IUPAC Name:
1-[6-(aziridin-1-yl)hexyl]-2-(4-hydroxyphenyl)indol-5-ol
InChI:
InChI=1S/C22H26N2O2/c25-19-7-5-17(6-8-19)22-16-18-15-20(26)9-10-21(18)24(22)12-4-2-1-3-11-23-13-14-23/h5-10,15-16,25-26H,1-4,11-14H2
InChI Key:
FYXCZXUAUVCUAT-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(C)c(n2CCCCCCN1CC1)c1ccc(cc1)O
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.199g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.462g/mol
Monoisotopic Mass:
350.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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