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tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate

tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate - CAS 956317-40-1

Catalog:	BB041781
Product Name:	tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate
CAS:	956317-40-1
Synonyms:	6-hydroxy-1,4-diazepane-1-carboxylic acid tert-butyl ester; tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate
Description:	tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate (CAS# 956317-40-1 ) is a useful research chemical.
Molecular Weight:	216.281
Molecular Formula:	C10H20N2O3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCNCC(C1)O
InChI:	InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-6-8(13)7-12/h8,11,13H,4-7H2,1-3H3
InChI Key:	GBVLDEOLVSGEJQ-UHFFFAOYSA-N
LogP:	0.45430

Publication Number	Title	Priority Date
WO-2021074620-A1	[1,4]oxazepino[2,3-c]qui noli none derivatives as blc6 inhibitors	20191014
TW-202024065-A	Heterocyclyl compounds for the treatment of autoimmune disease	20180927
TW-202016105-A	Novel heteroaryl heterocyclic compound for treating autoimmune diseases	20180612
CN-112313228-A	Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases	20180612
JP-2021526535-A	A novel heteroaryl heterocyclyl compound for the treatment of autoimmune diseases	20180612

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Related Functional Groups

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[55877-31-1]
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[618-40-6]
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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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:	2
Topological Polar Surface Area:	61.8 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2