4-Boc-1-piperazinecarboximidamide - CAS 153836-14-7

Catalog:	BB010941
Product Name:	4-Boc-1-piperazinecarboximidamide
CAS:	153836-14-7
Synonyms:	4-carbamimidoyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-carbamimidoylpiperazine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-carbamimidoylpiperazine-1-carboxylate
Description:	4-Boc-1-piperazinecarboximidamide (CAS# 153836-14-7) is a useful research chemical.
Molecular Weight:	228.29
Molecular Formula:	C10H20N4O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)C(=N)N
InChI:	InChI=1S/C10H20N4O2/c1-10(2,3)16-9(15)14-6-4-13(5-7-14)8(11)12/h4-7H2,1-3H3,(H3,11,12)
InChI Key:	MJNAHJKRZWPBSX-UHFFFAOYSA-N
Boiling Point:	328.4 °C at 760 mmHg
Density:	1.22 g/cm³
MDL:	MFCD11616060
LogP:	1.10840

Publication Number	Title	Priority Date
WO-2019199816-A1	Cereblon ligands and bifunctional compounds comprising the same	20180413
AU-2019251223-A1	Cereblon ligands and bifunctional compounds comprising the same	20180413
EP-3774772-A1	Cereblon ligands and bifunctional compounds comprising the same	20180413
AU-2017400271-A1	Sulfoximine glycosidase inhibitors	20170224
EP-3585779-A1	Substituted dihydrobenzofuran glycosidase inhibitors	20170224

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Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.15862589
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	228.15862589
Rotatable Bond Count:	3
Topological Polar Surface Area:	82.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1