N-(Phenethyl)acetamide - CAS 877-95-2

Catalog:	BB038636
Product Name:	N-(Phenethyl)acetamide
CAS:	877-95-2
Synonyms:	N-(2-phenylethyl)acetamide; N-(2-phenylethyl)acetamide

Technical Data

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Computed Properties

IUPAC Name:	N-(2-phenylethyl)acetamide
Description:	N-(2-Phenylethyl)acetamide can be used as an antimicrobial agent for aquaculture.
Molecular Weight:	163.22
Molecular Formula:	C10H13NO
Canonical SMILES:	CC(=O)NCCC1=CC=CC=C1
InChI:	InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
InChI Key:	MODKMHXGCGKTLE-UHFFFAOYSA-N
Boiling Point:	346.6 °C at 760 mmHg
Density:	1.012 g/cm³
MDL:	MFCD00026177
LogP:	1.75610

Publication Number	Title	Priority Date
CN-112630347-A	HPLC analysis method of 4-nitrophenylethylamine	20201224
CN-111974173-A	Benzene sulfonyl chloride production tail gas HCl absorbing device	20200901
CN-111793011-A	Styrene sulfone NLRP3 inflammatory corpuscle inhibitor and preparation method and application thereof	20200810
CN-111793011-B	Styrene sulfone NLRP3 inflammatory corpuscle inhibitor and preparation method and application thereof	20200810
KR-20210104441-A	Composition for animal lifespan extension comprising compound selected from the group consisting of N-acetylphenethylamine, phenethylamine and salt thereof as an active ingredient	20200217

PMID	Publication Date	Title	Journal
22006720	20111001	Two new imidazolone-containing alkaloids and further metabolites from the ascomycete fungus Tricladium sp	Chemistry & biodiversity
20390105	20100204	Alkaloids in marine algae	Marine drugs
20183318	20090801	Six compounds from marine fungus Y26-02	Journal of Asian natural products research
18154390	20071221	Entropy-driven population distributions in a prototypical molecule with two flexible side chains: O-(2-acetamidoethyl)-N-acetyltyramine	The Journal of chemical physics
17700890	20070907	Efficient oxidative radical spirolactamization	Chemical communications (Cambridge, England)

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.099714038
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.099714038
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5