(1-Boc-azetidine-3,3-diyl)dimethanol - CAS 1016233-08-1

Catalog:	BB000572
Product Name:	(1-Boc-azetidine-3,3-diyl)dimethanol
CAS:	1016233-08-1
Synonyms:	3,3-bis(hydroxymethyl)-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate
Description:	(1-Boc-azetidine-3,3-diyl)dimethanol (CAS# 1016233-08-1) is a useful research chemical.
Molecular Weight:	217.26
Molecular Formula:	C10H19NO4
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(C1)(CO)CO
InChI:	InChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11-4-10(5-11,6-12)7-13/h12-13H,4-7H2,1-3H3
InChI Key:	GAXAFYOXCGGDFH-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	0.14600

Publication Number	Title	Priority Date
WO-2019233456-A1	Erk inhibitor and use thereof	20180608
WO-2019233457-A1	Erk inhibitor and use thereof	20180608
TW-202016102-A	ERK inhibitor and its application	20180608
TW-202016113-A	ERK inhibitor and its application	20180608
CN-112204024-A	ERK inhibitor and application thereof	20180608

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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:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.13140809
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	217.13140809
Rotatable Bond Count:	4
Topological Polar Surface Area:	70 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4