N,N-Diethyl-2-phenylacetamide

HCID 17076
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Basic information

CAS
2431-96-1
Standard SMILES
CCN(CC)C(=O)Cc1ccccc1
InChIKey
UXDAWVUDZLBBAM-UHFFFAOYSA-N
Molecular formula
C12H17NO
Average molar mass
191.27 g/mol
Monoisotopic mass
191.13101416

Overview

N,N-Diethylbenzeneacetamide is a member of acetamides.

Names & identifiers

Preferred name
N,N-Diethyl-2-phenylacetamide
IUPAC
N,N-diethyl-2-phenylacetamide
English name
N,N-Diethyl-2-phenylacetamide
Molecular formula
C12H17NO
Molecular weight
191.27

Names & synonyms

N,N-Diethyl-2-phenylacetamide2431-96-1N,N-DiethylphenylacetamideN,N-Diethylbenzeneacetamidediethyl phenyl acetamideTTI4PYU0SHDTXSID00179048NSC-8245RefChem:822336DTXCID30101539219-400-3DEPA
Show more names
n,n-diethyl-benzeneacetamidn,n-diethyl-2-phenyl-acetamidN,N-diethyl-2-phenyl-ethanamide
N,N-Diethyl phenylacetamidePhenyl-N,N-diethylacetamideBenzeneacetamide, N,N-diethyl-MFCD00192031N,N-diethyl-2-phenyl-acetamideN,N-Diethyl-BenzeneacetamideCCRIS 3350UNII-TTI4PYU0SH

Database identifiers

CAS
2431-96-1
PubChem CID
17076
DTXSID
DTXSID00179048
ChEMBL
CHEMBL1887332
ChEBI
CHEBI:195905
UNII
TTI4PYU0SH
EC Number
219-400-3
Nikkaji
J80.484C

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
14

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point
LogP · 2 items

2.40

2.4

Solubility>28.7 [ug/mL] (The mean of the results at pH 7.4)
Melting Point86 °C
Physical DescriptionSolid

Physicochemical properties

Melting point
84 · 84-86 °C
Boiling point
169 · 169-171 °C18 mm Hg(lit.)
Density
1.004 g/mL · 1.004 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.522(lit.)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P316, P317, P320, P321, P330, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
3
rtecs
AB7410000
Toxicity
LD50 in guinea pigs, rats, rabbits, mice (g/kg): 7, 3-4, 3.5, ~2 dermally (Rao, 1991)
risk_code
20/21/22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationSubstances causing insects to turn away from them or reject them as food.
Cellular LocationsCytoplasm
Applications · 2 items

DescriptionN, N-DIETHYL-2-PHENYLACETAMIDE is a safe and effective, low-cost and broad-spectrum repellent for personal protection against Hematophagous arthropods1. It has repellent activity against hematophagous insects including mosquitoes, black flies, horse flies, muscoid flies, rat fleas, and ticks, as well as land leeches and cockroaches.As an Insect repellents, it exert its effects through interactions with Ors (odorant receptors) and GRs (gustatory receptor neuron (GRN)) in mosquitoes. However, the detailed mechanism of action remains inconclusive.

UsesInsect repellent.

Upstream & downstream products

Suppliers52 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

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Compound notes

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