1-Boc-2-(hydroxymethyl)piperazine - CAS 205434-75-9

Catalog:	BB016052
Product Name:	1-Boc-2-(hydroxymethyl)piperazine
CAS:	205434-75-9
Synonyms:	2-(hydroxymethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 2-(hydroxymethyl)piperazine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 2-(hydroxymethyl)piperazine-1-carboxylate
Description:	1-Boc-2-(hydroxymethyl)piperazine (CAS# 205434-75-9) is a useful research chemical.
Molecular Weight:	216.28
Molecular Formula:	C10H20N2O3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCNCC1CO
InChI:	InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-6-8(12)7-13/h8,11,13H,4-7H2,1-3H3
InChI Key:	BCPPNDHZUPIXJM-UHFFFAOYSA-N
Boiling Point:	323.989 °C at 760 mmHg
Density:	1.085 g/cm³
MDL:	MFCD07772091
LogP:	0.45430

Publication Number	Title	Priority Date
WO-2021190417-A1	Novel aminopyrimidine egfr inhibitor	20200323
WO-2021077010-A1	Bifunctional molecules containing an e3 ubiquitine ligase binding moiety linked to a bcl6 targeting moiety	20191017
CN-112538072-A	Novel aminopyrimidine EGFR (epidermal growth factor receptor) inhibitor	20190921
CN-112442049-A	Pyrimidine derivatives as Wee1 inhibitors	20190903
WO-2021043152-A1	Pyrimidine derivative as wee1 inhibitor	20190903

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GHS Hazard Statement:	H302 (100%): 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

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