(R)-1-Boc-3-(hydroxymethyl)piperazine - CAS 278788-66-2

Name: (R)-1-Boc-3-(hydroxymethyl)piperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019696
Product Name:	(R)-1-Boc-3-(hydroxymethyl)piperazine
CAS:	278788-66-2
Synonyms:	(3R)-3-(hydroxymethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate
Description:	(R)-1-Boc-3-(hydroxymethyl)piperazine (CAS# 278788-66-2) is a used as a building block for the preparation of PI3K inhibitors for rheumatoid arthritis treatment,benzoxaborole derivatives as antimalarial agents and anti-tuberculosis agents.
Molecular Weight:	216.28
Molecular Formula:	C10H20N2O3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCNC(C1)CO
InChI:	InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13/h8,11,13H,4-7H2,1-3H3/t8-/m1/s1
InChI Key:	NSILYQWHARROMG-MRVPVSSYSA-N
Boiling Point:	322.9 °C at 760 mmHg
Density:	1.085 g/cm³
MDL:	MFCD05863888
LogP:	0.45430

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	216.14739250
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	216.14739250
Rotatable Bond Count:	3
Topological Polar Surface Area:	61.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2