(S)-Cbz-3-Amino-3-phenyl-1-propanol - CAS 869468-32-6

Catalog:	BB038130
Product Name:	(S)-Cbz-3-Amino-3-phenyl-1-propanol
CAS:	869468-32-6
Synonyms:	N-[(1S)-3-hydroxy-1-phenylpropyl]carbamic acid (phenylmethyl) ester; benzyl N-[(1S)-3-hydroxy-1-phenylpropyl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	benzyl N-[(1S)-3-hydroxy-1-phenylpropyl]carbamate
Description:	(S)-Cbz-3-Amino-3-phenyl-1-propanol (CAS# 869468-32-6) is a useful research chemical.
Molecular Weight:	285.34
Molecular Formula:	C17H19NO3
Canonical SMILES:	C1=CC=C(C=C1)COC(=O)NC(CCO)C2=CC=CC=C2
InChI:	InChI=1S/C17H19NO3/c19-12-11-16(15-9-5-2-6-10-15)18-17(20)21-13-14-7-3-1-4-8-14/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m0/s1
InChI Key:	LHJCROXNTSGDSP-INIZCTEOSA-N
LogP:	3.42740

Publication Number	Title	Priority Date
WO-2014173375-A1	A process for the synthesis of maraviroc	20130426
AU-2001252482-B2	Triazolyl Tropane Derivatives As CCR5 Modulators	20000526
AU-2001252482-C1	Triazolyl Tropane Derivatives as CCR5 Modulators	20000526
CA-2408909-C	Azabicyclo[3.2.1]octane triazolyl tropane derivatives as ccrs5 modulators	20000526
DE-60102233-T2	TRIAZOLYLTROPAN DERIVATIVES AS CCR5 MODULATORS	20000526

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Complexity:	296
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	285.13649347
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	285.13649347
Rotatable Bond Count:	7
Topological Polar Surface Area:	58.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6