N-Benzoylethanolamine - CAS 18838-10-3

Catalog:	BB014512
Product Name:	N-Benzoylethanolamine
CAS:	18838-10-3
Synonyms:	Benzamide, N-(2-hydroxyethyl)-; 2-benzoylaminoethanol; N-Benzoyl-2-aminoethanol; N-Benzoyl-β-aminoethanol

Technical Data

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Computed Properties

IUPAC Name:	N-(2-Hydroxyethyl)benzamide
Description:	N-Benzoylethanolamine (CAS# 18838-10-3) is a useful research chemical.
Molecular Weight:	165.19
Molecular Formula:	C9H11NO2
Canonical SMILES:	C1CCC(CC1)C(=O)NCCO
InChI:	InChI=1S/C9H11NO2/c11-7-6-10-9(12)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,10,12)
InChI Key:	ZKSYUNLBFSOENV-UHFFFAOYSA-N
Boiling Point:	401.2±28.0 ℃ at 760 mmHg
Purity:	> 95 % by HPLC
Density:	1.1±0.1 g/cm³
Storage:	Store at -20 ℃
LogP:	0.98350

Publication Number	Title	Priority Date
CN-113042217-A	Preparation of odorless amido dithiocarbonate compound and application of odorless amido dithiocarbonate compound in flotation	20210311
CN-112358503-A	Preparation method and application of tenofovir derivatives	20200514
EP-3838891-A1	Aldimines and uses thereof	20191219
WO-2021122594-A1	Aldimines and uses thereof	20191219
CN-112779026-A	Alignment agent, diamine compound, alignment film, and liquid crystal display module	20191105

PMID	Publication Date	Title	Journal
22364815	20120315	Isolation and identification of antibacterial neo-compounds from the red ants of ChangBai Mountain, Tetramorium sp	Bioorganic & medicinal chemistry letters
19272675	20090901	Synthesis and anticonvulsant activity of N-(2-hydroxyethyl) cinnamamide derivatives	European journal of medicinal chemistry
19019676	20090101	Aryl aminopyrazole benzamides as oral non-steroidal selective glucocorticoid receptor agonists	Bioorganic & medicinal chemistry letters
11456611	20010207	2-Benzamidoethyl group--a novel type of phosphate protecting group for oligonucleotide synthesis	Journal of the American Chemical Society

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Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.078978594
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.078978594
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3