N,N-Diethylacetamide - CAS 685-91-6

Catalog:	BB033591
Product Name:	N,N-Diethylacetamide
CAS:	685-91-6
Synonyms:	N,N-diethylacetamide

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	N,N-diethylacetamide
Description:	N,N-Diethylacetamide (CAS# 685-91-6) is a useful research chemical compound.
Molecular Weight:	115.17
Molecular Formula:	C6H13NO
Canonical SMILES:	CCN(CC)C(=O)C
InChI:	InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
InChI Key:	AJFDBNQQDYLMJN-UHFFFAOYSA-N
Boiling Point:	182-186 ℃
Melting Point:	LESS THAN 20 °C
Flash Point:	170 °F
Purity:	99 %
Density:	0.925 g/cm³
Appearance:	Colorless to yellow liquid
Decomposition:	When heated to decomposition it emits toxic fumes of /nitrogen oxides
MDL:	MFCD00009047
LogP:	0.87470
Vapor Pressure:	0.89 [mmHg]

Publication Number	Title	Priority Date
CN-113492002-A	Liquid chromatography stationary phase based on Janus microspheres and preparation method thereof	20210629
CN-113264923-A	Synthesis method of 3-gamma-lactam/acylamino alkyl substituted quinoxalinone derivative	20210608
CN-113150108-A	Solid-phase synthesis method of liraglutide	20210521
CN-113214692-A	High-refraction resin composition and preparation method thereof	20210521
CN-113353925-A	Preparation method of polyimide-based graphite film with high thermal conductivity	20210512

PMID	Publication Date	Title	Journal
16853681	20051110	Molecular interpretation for the solvation of poly(acrylamide)s. I. Solvent-dependent changes in the C=O stretching band region of poly(N,N-dialkylacrylamide)s	The journal of physical chemistry. B

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	76.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.099714038
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	115.099714038
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3