(R)-(+)-2-(Boc-amino)-1,4-butanediol - CAS 397246-14-9

Catalog:	BB024104
Product Name:	(R)-(+)-2-(Boc-amino)-1,4-butanediol
CAS:	397246-14-9
Synonyms:	N-[(2R)-1,4-dihydroxybutan-2-yl]carbamic acid tert-butyl ester; tert-butyl N-[(2R)-1,4-dihydroxybutan-2-yl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[(2R)-1,4-dihydroxybutan-2-yl]carbamate
Description:	(R)-(+)-2-(Boc-amino)-1,4-butanediol (CAS# 397246-14-9) is a useful research chemical.
Molecular Weight:	205.25
Molecular Formula:	C9H19NO4
Canonical SMILES:	CC(C)(C)OC(=O)NC(CCO)CO
InChI:	InChI=1S/C9H19NO4/c1-9(2,3)14-8(13)10-7(6-12)4-5-11/h7,11-12H,4-6H2,1-3H3,(H,10,13)/t7-/m1/s1
InChI Key:	KLRRFBSWOIUAHZ-SSDOTTSWSA-N
Boiling Point:	365.041 °C at 760 mmHg
Density:	1.11 g/cm³
MDL:	MFCD08703679
LogP:	0.64530

Publication Number	Title	Priority Date
WO-2021018858-A1	6,7-dihydro-5h-pyrido[2,3-c]pyridazine derivatives and related compounds as bcl-xl protein inhibitors and pro-apoptotic agents for treating cancer	20190729
WO-2017004609-A1	Thiadiazole modulators of s1p and methods of making and using	20150702
US-2007149516-A1	Certain chemical entities, compositions, and methods	20051109
US-7582668-B2	Imidazoyl-benzamide anti-cancer agents	20051109
US-2007197640-A1	Certain chemical entities, compositions, and methods	20051102

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	205.13140809
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	205.13140809
Rotatable Bond Count:	6
Topological Polar Surface Area:	78.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0