N-(tert-Butyl)-2-chloroacetamide - CAS 15678-99-6

Catalog:	BB011262
Product Name:	N-(tert-Butyl)-2-chloroacetamide
CAS:	15678-99-6
Synonyms:	N-tert-butyl-2-chloroacetamide; N-tert-butyl-2-chloroacetamide

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Computed Properties

IUPAC Name:	N-tert-butyl-2-chloroacetamide
Description:	In conjunction to thiocarbamate herbicides prevents the onset of herbicide injury to corn.
Molecular Weight:	149.62
Molecular Formula:	C6H12ClNO
Canonical SMILES:	CC(C)(C)NC(=O)CCl
InChI:	InChI=1S/C6H12ClNO/c1-6(2,3)8-5(9)4-7/h4H2,1-3H3,(H,8,9)
InChI Key:	NQVPSGXLCXZSTB-UHFFFAOYSA-N
Boiling Point:	251.6 ℃ at 760 mmHg
Density:	1.032 g/cm³
MDL:	MFCD00032565
LogP:	1.53080

Publication Number	Title	Priority Date
WO-2021112251-A1	Azetidine sulfonamide compound	20191206
WO-2021040519-A1	Inhibition of mycobacterial type vii secretion	20190826
WO-2020009156-A1	Biaryl ether-type quinazoline derivative	20180704
AU-2019297889-A1	Biaryl ether-type quinazoline derivatives	20180704
CA-3105602-A1	Biaryl ether-type quinazoline derivatives	20180704

PMID	Publication Date	Title	Journal
17928912	20071028	Air-stable, convenient to handle Pd based PEPPSI (pyridine enhanced precatalyst preparation, stabilization and initiation) themed precatalysts of N/O-functionalized N-heterocyclic carbenes and its utility in Suzuki-Miyaura cross-coupling reaction	Dalton transactions (Cambridge, England : 2003)

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GHS Hazard Statement:	H302 (95%): 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:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.0607417
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	149.0607417
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1