N-(2-Aminoethyl)acetamide - CAS 1001-53-2

Catalog:	BB000110
Product Name:	N-(2-Aminoethyl)acetamide
CAS:	1001-53-2
Synonyms:	N-(2-aminoethyl)acetamide

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	N-(2-aminoethyl)acetamide
Description:	N-(2-Aminoethyl)acetamide (CAS# 1001-53-2) is urea derivative as CB1 allosteric modulators.
Molecular Weight:	102.14
Molecular Formula:	C4H10N2O
Canonical SMILES:	CC(=O)NCCN
InChI:	InChI=1S/C4H10N2O/c1-4(7)6-3-2-5/h2-3,5H2,1H3,(H,6,7)
InChI Key:	DAKZISABEDGGSV-UHFFFAOYSA-N
Boiling Point:	128 °C (3 mmHg)
Melting Point:	50 °C
Purity:	98 %
Density:	1.066 g/cm³
Appearance:	White solid
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD00008163
LogP:	0.17240

Publication Number	Title	Priority Date
CN-113372479-A	Cross-linked acetoacetoxy ethyl methacrylate copolymer prepared by utilizing functionalized amide dynamic covalent bond and preparation method thereof	20210720
CN-113307779-A	Heterocyclic substituted biphenyl compound, preparation method and application	20210525
CN-112979532-A	Phthalimide compound, preparation method and application	20210520
CN-112979532-B	Phthalimide compound, preparation method and application	20210520
CN-113461668-A	Novel biphenyl derivative, preparation method and medical application thereof	20210430

PMID	Publication Date	Title	Journal
22490048	20120510	Synthesis, structure-activity relationship, and pharmacological studies of novel melanin-concentrating hormone receptor 1 antagonists 3-aminomethylquinolines: reducing human ether-a-go-go-related gene (hERG) associated liabilities	Journal of medicinal chemistry
20527987	20100714	Synthesis and chemical characterization of the novel agronomically relevant pentadentate chelate 2-(2-((2-hydroxybenzyl)amino)ethylamino)-2-(2-hydroxyphenyl)acetic acid (DCHA)	Journal of agricultural and food chemistry
12733936	20030514	N[bond]C(alpha) bond dissociation energies and kinetics in amide and peptide radicals. Is the dissociation a non-ergodic process?	Journal of the American Chemical Society

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Nitrogen Compounds

[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

GHS Hazard Statement:	H314 (13.33%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P337+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	62.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	102.079312947
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	102.079312947
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.4