N,N-Diethylpropionamide - CAS 1114-51-8

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

Catalog:	BB002762
Product Name:	N,N-Diethylpropionamide
CAS:	1114-51-8
Synonyms:	N,N-diethylpropanamide

Technical Data

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Computed Properties

IUPAC Name:	N,N-diethylpropanamide
Description:	N,N-Diethylpropionamide (CAS# 1114-51-8 ) is a useful research chemical.
Molecular Weight:	129.20
Molecular Formula:	C7H15NO
Canonical SMILES:	CCC(=O)N(CC)CC
InChI:	InChI=1S/C7H15NO/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3
InChI Key:	YKOQQFDCCBKROY-UHFFFAOYSA-N
Boiling Point:	77 °C (12 mmHg)
Melting Point:	-22 °C
Purity:	95 %
Density:	0.897 g/cm³
Appearance:	Colorless to yellow liquid
Storage:	Keep tightly closed. Keep away from heat and open flame. Store in a cool dry place.
MDL:	MFCD00009302
LogP:	1.26480

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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, P312, P322, P330, P363, and P501
Signal Word:	Warning

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Complexity:	86.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.115364102
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	129.115364102
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9