N,N-Dimethylpropionamide - CAS 758-96-3

Name: N,N-Dimethylpropionamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035432
Product Name:	N,N-Dimethylpropionamide
CAS:	758-96-3
Synonyms:	N,N-dimethylpropanamide

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Computed Properties

IUPAC Name:	N,N-dimethylpropanamide
Description:	N,N-Dimethylpropionamide (CAS# 758-96-3) is used in preparation of N,N-Dimethylamide compounds by gas-phase reaction of Nitrile with methanol in presence of sponge Copper catalyst.
Molecular Weight:	101.15
Molecular Formula:	C5H11NO
Canonical SMILES:	CCC(=O)N(C)C
InChI:	InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3
InChI Key:	MBHINSULENHCMF-UHFFFAOYSA-N
Boiling Point:	174-176 °C
Purity:	98 %
Density:	0.93 g/cm³
LogP:	0.48460

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
21425877	20110506	Synthesis of 2'-O-[2-(N-methylcarbamoyl)ethyl]ribonucleosides using oxa-Michael reaction and chemical and biological properties of oligonucleotide derivatives incorporating these modified ribonucleosides	The Journal of organic chemistry
17625326	20070701	Solvation number and conformation of N,N-dimethylacrylamide and N,N-dimethylpropionamide in the coordination sphere of the cobalt(II) ion in solution studied by FT-IR and FT-Raman spectroscopy	Analytical sciences : the international journal of the Japan Society for Analytical Chemistry
16833831	20050602	Conformation of solvent N,N-dimethylpropionamide in the coordination sphere of the zinc(II) ion studied by Raman spectroscopy and DFT calculations	The journal of physical chemistry. A
15674803	20050101	2, 3-Bis(5-alkyl-2-thiono-1, 3, 5-thiadiazin-3-yl) propionic acid: one-pot domino synthesis and antimicrobial activity	Archiv der Pharmazie
15068281	20040301	Characterization of metal ions in coordinating solvent mixtures by means of Raman spectroscopy	Analytical sciences : the international journal of the Japan Society for Analytical Chemistry

Complexity:	68.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	101.084063974
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	101.084063974
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1