(R)-N2-Boc-1-phenylethylenediamine - CAS 188875-37-8

Catalog:	BB014565
Product Name:	(R)-N2-Boc-1-phenylethylenediamine
CAS:	188875-37-8
Synonyms:	N-[(2R)-2-amino-2-phenylethyl]carbamic acid tert-butyl ester; tert-butyl N-[(2R)-2-amino-2-phenylethyl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[(2R)-2-amino-2-phenylethyl]carbamate
Description:	(R)-N2-Boc-1-phenylethylenediamine (CAS# 188875-37-8 ) is a useful research chemical.
Molecular Weight:	236.31
Molecular Formula:	C13H20N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NCC(C1=CC=CC=C1)N
InChI:	InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)/t11-/m0/s1
InChI Key:	CLUUDOMFHPDBIR-NSHDSACASA-N
LogP:	3.30230

Publication Number	Title	Priority Date
EP-3191098-A1	Combinations and dosing regimes to treat rb-positive tumors	20140912
US-10231969-B2	Anti-neoplastic combinations and dosing regimens using CDK4/6 inhibitor compounds to treat RB-positive tumors	20140912
US-10413547-B2	Treatment of Rb-negative tumors using topoisomerase with cyclin dependent kinase 4/6 inhibitors	20140912
US-2017182043-A1	Anti-Neoplastic Combinations and Dosing Regimens using CDK4/6 Inhibitor Compounds to Treat RB-Positive Tumors	20140912
US-2017246171-A1	Treatment Of RB-Negative Tumors Using Topoisomerase Inhibitors In Combination With Cyclin Dependent Kinase 4/6 Inhibitors	20140912

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Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	236.152477885
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	236.152477885
Rotatable Bond Count:	5
Topological Polar Surface Area:	64.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5