3-(9H-Carbazol-4-yloxy)-1,2-propanediol - CAS 123119-89-1

Catalog:	BB070646
Product Name:	3-(9H-Carbazol-4-yloxy)-1,2-propanediol
CAS:	123119-89-1
Synonyms:	3-(9H-Carbazol-4-yloxy)-1,2-propanediol; 3-(9H-carbazol-4-yloxy)propane-1,2-diol; 3-((9H-Carbazol-4-yl)oxy)propane-1,2-diol

Technical Data

IUPAC Name:	3-(9H-carbazol-4-yloxy)propane-1,2-diol
Description:	3-(9H-Carbazol-4-yloxy)-1,2-propanediol is used in the synthesis of carvedilol, a b-adrenergic blocking agent.
Molecular Weight:	257.28
Molecular Formula:	C15H15NO3
Canonical SMILES:	C1=CC=C2C(=C1)C3=C(N2)C=CC=C3OCC(CO)O
InChI:	InChI=1S/C15H15NO3/c17-8-10(18)9-19-14-7-3-6-13-15(14)11-4-1-2-5-12(11)16-13/h1-7,10,16-18H,8-9H2
InChI Key:	PHIWDZXZVQVXLT-UHFFFAOYSA-N
Melting Point:	142-145°C
Solubility:	DMSO (Slightly), Methanol (Slightly, Sonicated)
Appearance:	Pale Brown to Grey Solid
Storage:	4°C, Inert atmosphere
References:	Naidu, K. et al. Org. Chem. An Indian J., 6, 171 (2010).

Complexity:	299
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.10519334
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	257.10519334
Rotatable Bond Count:	4
Topological Polar Surface Area:	65.5Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5