[2-[(4-Morpholinylcarbonyl)amino]ethyl]-carbamic acid, 1,1-dimethylethyl ester - CAS 215654-61-8

Catalog:	BB056632
Product Name:	[2-[(4-Morpholinylcarbonyl)amino]ethyl]-carbamic acid, 1,1-dimethylethyl ester
CAS:	215654-61-8
Synonyms:	[2-[(4-Morpholinylcarbonyl)amino]ethyl]-carbamic acid, 1,1-dimethylethyl ester; tert-butyl N-[2-(morpholine-4-carbonylamino)ethyl]carbamate; tert-Butyl 2-(morpholine-4-carboxamido)ethylcarbamate; tert-Butyl (2-(morpholine-4-carboxamido)ethyl)carbamate

Technical Data

IUPAC Name:	tert-butyl N-[2-(morpholine-4-carbonylamino)ethyl]carbamate
Description:	[2-[(4-Morpholinylcarbonyl)amino]ethyl]-carbamic acid, 1,1-dimethylethyl ester is a reagent used to synthesize β1-Arenoreceptor ligands.
Molecular Weight:	273.33
Molecular Formula:	C12H23N3O4
Canonical SMILES:	CC(C)(C)OC(=O)NCCNC(=O)N1CCOCC1
InChI:	InChI=1S/C12H23N3O4/c1-12(2,3)19-11(17)14-5-4-13-10(16)15-6-8-18-9-7-15/h4-9H2,1-3H3,(H,13,16)(H,14,17)
InChI Key:	RBYFBVIKKGFPPF-UHFFFAOYSA-N
References:	Radeke, H., et al. ACS Med. Chem. Lett., 2, 650 (2011).

Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.16885622
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	273.16885622
Rotatable Bond Count:	5
Topological Polar Surface Area:	79.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1