(S)-1-Boc-3-(hydroxymethyl)piperazine - CAS 314741-40-7

Catalog:	BB020937
Product Name:	(S)-1-Boc-3-(hydroxymethyl)piperazine
CAS:	314741-40-7
Synonyms:	(3S)-3-(hydroxymethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate
Description:	(S)-1-Boc-3-(hydroxymethyl)piperazine (CAS# 314741-40-7) 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/t8-/m0/s1
InChI Key:	NSILYQWHARROMG-QMMMGPOBSA-N
Boiling Point:	322.9 °C at 760 mmHg
Density:	1.085 g/cm³
MDL:	MFCD05863889
LogP:	0.45430

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Related Functional Groups

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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:	216.1473925
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	216.1473925
Rotatable Bond Count:	3
Topological Polar Surface Area:	61.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2