1-(Boc-amino)piperazine - CAS 147081-80-9

Catalog:	BB010157
Product Name:	1-(Boc-amino)piperazine
CAS:	147081-80-9
Synonyms:	N-(1-piperazinyl)carbamic acid tert-butyl ester; tert-butyl N-piperazin-1-ylcarbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-piperazin-1-ylcarbamate
Description:	1-(Boc-amino)piperazine (CAS# 147081-80-9) is a useful research chemical.
Molecular Weight:	201.27
Molecular Formula:	C9H19N3O2
Canonical SMILES:	CC(C)(C)OC(=O)NN1CCNCC1
InChI:	InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)11-12-6-4-10-5-7-12/h10H,4-7H2,1-3H3,(H,11,13)
InChI Key:	MHKPBRDUFKYAGW-UHFFFAOYSA-N
Density:	1.08 g/cm³
MDL:	MFCD11840387
LogP:	0.98890

Publication Number	Title	Priority Date
WO-2020156017-A1	Targeted ubiquitination degradation brd4 protein compound, preparation method therefor and application thereof	20190202
CN-113365699-A	Target ubiquitination degradation BRD4 protein compound and preparation method and application thereof	20190202
CN-112105385-A	IRAK degrading agents and uses thereof	20171226
AU-2017283790-B2	Substituted pyridines as inhibitors of DNMT1	20160613
EP-3468953-A1	Substituted pyridines as inhibitors of dnmt1	20160613

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.147726857
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	201.147726857
Rotatable Bond Count:	3
Topological Polar Surface Area:	53.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5