N-tert-Butoxycarbonyl Serotonin - CAS 53157-48-5

Catalog:	BB055341
Product Name:	N-tert-Butoxycarbonyl Serotonin
CAS:	53157-48-5
Synonyms:	[2-(5-Hydroxy-1H-indol-3-yl)ethyl]carbamic Acid 1,1-Dimethylethyl Ester; 3-[2-N-(tert-Butoxycarbonyl)amino]-1H-indole-5-ol

Technical Data

IUPAC Name:	tert-butyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
Description:	Protected Serotonin (S274980), a monoamine neurotransmitter. Used in the preparation of protein kinase inhibitors and receptor agonists.
Molecular Weight:	276.33
Molecular Formula:	C15H20N2O3
Canonical SMILES:	CC(C)(C)OC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI:	InChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)16-7-6-10-9-17-13-5-4-11(18)8-12(10)13/h4-5,8-9,17-18H,6-7H2,1-3H3,(H,16,19)
InChI Key:	IIMONFHUAYVZPV-UHFFFAOYSA-N
Melting Point:	>125°C (dec.)
Solubility:	Chloroform (Slightly), Dichloromethane, DMSO (Slightly), Ethyl Acetate, Methanol
Appearance:	Light Yellow to Yellow Solid
Storage:	4°C
References:	Trujillo, J. et al. Bioorg. Med. Chem. Lett., 17, 4657 (2007); Halazy, S. et al. J. Med. Chem., 39, 4920 (1996); Michel, P. et al. Bioorg. Med. Chem., 5, 663 (1995).

Complexity:	341
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	276.1473925
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	276.1473925
Rotatable Bond Count:	5
Topological Polar Surface Area:	74.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9