4-N-Boc-2-hydroxymethylpiperazine - CAS 301673-16-5

Catalog:	BB020478
Product Name:	4-N-Boc-2-hydroxymethylpiperazine
CAS:	301673-16-5
Synonyms:	3-(hydroxymethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate
Description:	4-N-Boc-2-hydroxymethylpiperazine (CAS# 301673-16-5) is a useful research chemical.
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
InChI Key:	NSILYQWHARROMG-UHFFFAOYSA-N
Boiling Point:	322.9 °C at 760 mmHg
Density:	1.085 g/cm³
MDL:	MFCD04115304
LogP:	0.45430

Publication Number	Title	Priority Date
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WO-2020255016-A1	Combination of hepatitis b virus (hbv) vaccines and dihydropyrimidine derivatives as capsid assembly modulators	20190618

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Related Functional Groups

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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, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
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:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2