(R)-N-Boc-3-amino-3-phenyl-1-propanol - CAS 158807-47-7

Catalog:	BB011465
Product Name:	(R)-N-Boc-3-amino-3-phenyl-1-propanol
CAS:	158807-47-7
Synonyms:	N-[(1R)-3-hydroxy-1-phenylpropyl]carbamic acid tert-butyl ester; tert-butyl N-[(1R)-3-hydroxy-1-phenylpropyl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(1R)-3-hydroxy-1-phenylpropyl]carbamate
Description:	(R)-N-Boc-3-amino-3-phenyl-1-propanol (CAS# 158807-47-7) is a useful research chemical.
Molecular Weight:	251.32
Molecular Formula:	C14H21NO3
Canonical SMILES:	CC(C)(C)OC(=O)NC(CCO)C1=CC=CC=C1
InChI:	InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(9-10-16)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m1/s1
InChI Key:	SMEMODSNLZWKBF-GFCCVEGCSA-N
Boiling Point:	404.6 °C at 760 mmHg
Density:	1.083 g/cm³
LogP:	3.02570

Publication Number	Title	Priority Date
WO-2021092500-A1	Inhibitor of apoptosis (iap) protein antagonists	20191108
WO-2020236688-A1	Natriuretic peptide receptor a agonists useful for the treatment of cardiometabolic diseases, kidney disease and diabetes	20190522
EP-2507210-B1	Cyclohexane derivatives as inhibitors of acetyl-coa carboxylase (acc)	20091203
US-2011136735-A1	Cyclohexane derivatives and uses thereof	20091203
US-8394858-B2	Cyclohexane derivatives and uses thereof	20091203

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Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	251.15214353
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	251.15214353
Rotatable Bond Count:	6
Topological Polar Surface Area:	58.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1