2-Chloro-N-benzylacetamide - CAS 2564-06-9

Catalog:	BB018984
Product Name:	2-Chloro-N-benzylacetamide
CAS:	2564-06-9
Synonyms:	N-benzyl-2-chloroacetamide

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Computed Properties

IUPAC Name:	N-benzyl-2-chloroacetamide
Description:	N-Benzyl-2-chloroacetamide can be nerve rehabilitation effect for treating cerebral apoplexy.
Molecular Weight:	183.63
Molecular Formula:	C9H10ClNO
Canonical SMILES:	C1=CC=C(C=C1)CNC(=O)CCl
InChI:	InChI=1S/C9H10ClNO/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChI Key:	SRAXAXHQMCQHSH-UHFFFAOYSA-N
Boiling Point:	367.5 °C at 760 mmHg
Density:	1.176 g/cm³
MDL:	MFCD00084929
LogP:	1.93250

Publication Number	Title	Priority Date
CN-111892544-A	3- (aminomethyl) -4- (4-fluorophenyl) piperazine-1-carboxylic acid tert-butyl ester and synthesis method thereof	20200831
CN-110981817-A	Quinazoline amide compound and application thereof	20191228
WO-2021126973-A1	Compounds modulating protein recruitment and/or degradation	20191217
CN-110372531-A	The ethers acetamide derivative of the amide structure containing alpha-carbonyl and its application	20190829
WO-2021040519-A1	Inhibition of mycobacterial type vii secretion	20190826

PMID	Publication Date	Title	Journal
21581091	20081031	N,N'-Dibenzyl-2,2'-[(1,3,4-oxadiazole-2,5-di-yl)bis-(o-phenyl-eneoxy)]diacet-amide	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

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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, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.0450916
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	183.0450916
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8