1-Boc-3-ethynylazetidine - CAS 287193-01-5

Catalog:	BB019927
Product Name:	1-Boc-3-ethynylazetidine
CAS:	287193-01-5
Synonyms:	3-ethynyl-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-ethynylazetidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-ethynylazetidine-1-carboxylate
Description:	1-Boc-3-ethynylazetidine (CAS# 287193-01-5) is a useful research chemical.
Molecular Weight:	181.23
Molecular Formula:	C10H15NO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(C1)C#C
InChI:	InChI=1S/C10H15NO2/c1-5-8-6-11(7-8)9(12)13-10(2,3)4/h1,8H,6-7H2,2-4H3
InChI Key:	UENGYBYGCXKNRF-UHFFFAOYSA-N
Appearance:	Colorless to yellow liquid
MDL:	MFCD17016080
LogP:	1.42440

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Related Functional Groups

Azetidines

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N,1-Di-Boc-3-(4-bromophenyl)-3-azetidinamine
[1035351-07-5]
tert-Butyl ((3-hydroxyazetidin-3-yl)methyl)carbamate
[1629579-52-7]
Tert-butyl 3-cyano-3-((2,4-dimethoxybenzyl)amino)azetidine-1-carboxylate
[1228581-13-2]
Tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate
[2167190-21-6]
tert-Butyl 3-(3-oxocyclobutyl)azetidine-1-carboxylate
[1251006-73-1]
tert-Butyl 3-(piperidin-3-yl)azetidine-1-carboxylate

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:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.110278721
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.110278721
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3