Bufotenine Hydrochloride - CAS 55206-22-9

Catalog:	BB071867
Product Name:	Bufotenine Hydrochloride
CAS:	55206-22-9
Synonyms:	3-[2-(Dimethylamino)ethyl]-1H-indol-5-ol Monohydrochloride; N,N-Dimethyl-5-hydroxytryptamine Hydrochloride

Technical Data

IUPAC Name:	3-[2-(dimethylamino)ethyl]-1H-indol-5-olhydrochloride
Description:	Bufotenine is a weak hallucinogenic agent active by intravenous injection. It is a constituent of toad poison.
Molecular Weight:	204.27 + 36.46
Molecular Formula:	C12H16N2O·HCl
Canonical SMILES:	CN(C)CCC1=CNC2=C1C=C(C=C2)O.Cl
InChI:	InChI=1S/C12H16N2O.ClH/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H31H
InChI Key:	HFVAQLRXIRHGHX-UHFFFAOYSA-N
Melting Point:	>60°C (dec.)
Solubility:	Methanol (Slightly), Water (Slightly)
Appearance:	Light Beige to Very Dark Brown Sticky Solid to Solid
Storage:	-20°C, Hygroscopic
References:	Stoll, et al. Helv. Chim. Acta, 38, 1452 (1955), Bhattacharya, S., et al. Indian. J. Physiol. Pharmacol., 15, 133 (1971), Falkenberg, G., et al. Acta Crystallogr., 28B, 3219 (1972).

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.1029409
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	240.1029409
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0