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88875-59-6 | 1H-Indol-3-ol, 1-cyclohexyl-2,3,3a,4,5,6-hexahydro-2-imino-3-phenyl-
CAS No: 88875-59-6 Catalog No: AG004AGP MDL No:
Product Description
Catalog Number:
AG004AGP
Chemical Name:
1H-Indol-3-ol, 1-cyclohexyl-2,3,3a,4,5,6-hexahydro-2-imino-3-phenyl-
CAS Number:
88875-59-6
Molecular Formula:
C20H26N2O
Molecular Weight:
310.4332
IUPAC Name:
1-cyclohexyl-2-imino-3-phenyl-3a,4,5,6-tetrahydroindol-3-ol
InChI:
InChI=1S/C20H26N2O/c21-19-20(23,15-9-3-1-4-10-15)17-13-7-8-14-18(17)22(19)16-11-5-2-6-12-16/h1,3-4,9-10,14,16-17,21,23H,2,5-8,11-13H2
InChI Key:
GJDQESGQICOTGM-UHFFFAOYSA-N
SMILES:
N=C1N(C2CCCCC2)C2=CCCCC2C1(O)c1ccccc1
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.205g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.441g/mol
Monoisotopic Mass:
310.205g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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