1-Boc-imidazolidine - CAS 916891-97-9

Catalog:	BB040319
Product Name:	1-Boc-imidazolidine
CAS:	916891-97-9
Synonyms:	1-imidazolidinecarboxylic acid tert-butyl ester; tert-butyl imidazolidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl imidazolidine-1-carboxylate
Description:	1-Boc-imidazolidine (CAS# 916891-97-9) is a useful research chemical.
Molecular Weight:	172.22
Molecular Formula:	C8H16N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCNC1
InChI:	InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-5-4-9-6-10/h9H,4-6H2,1-3H3
InChI Key:	UROHOOQSDVUQGF-UHFFFAOYSA-N
LogP:	1.05090

Publication Number	Title	Priority Date
WO-2021212039-A1	Inhibitors of cysteine proteases and methods of use thereof	20200417
WO-2021038419-A1	Kinase inhibitors and methods of synthesis and treatment	20190823
EP-3616753-A1	Compounds for modulating adenosine a2b receptor and adenosine a2a receptor	20180831
US-2020079793-A1	Compounds and methods for modulating adenosine a2b receptor and adenosine a2a receptor	20180831
AU-2018325451-A1	Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor	20170831

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.121177757
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.121177757
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6