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Home> Hot Product Listed 2   > 2-(2,4-Dichlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
13010-47-4 structure

2-(2,4-Dichlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide

Iupac Name:1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea
CAS No.:13010-47-4
Molecular Weight:233.696
Molecular Formula:C14H18N2O3 (isomer)
Names and Identifiers
Synonyms

2-(2,4-dichlorophenoxy)-n-(2-diethylaminoethyl)acetamide 2-(2,4-dichlorophenoxy)-n-[2-(diethylamino)ethyl]acetamide AC1L4GC7 AC1Q2ZCG acetamide, 2-(2,4-dichlorophenoxy)-n-(2-(diethylamino)ethyl)- AKOS001609349 brn 1996595 CHEMBL1871658 CTK4I9722 F0910-0526 HMS2488D11 LP049120 LS-8899 MLS000518972 MOLPORT-001-831-041 NCGC00245946-01 np 251 smr000129392 ST50181900 VU0193594-3 ZINC1781567

Inchi
InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)
InChkey
GQYIWUVLTXOXAJ-UHFFFAOYSA-N
Canonical Smiles
C1CCC(CC1)NC(=O)N(CCCl)N=O
Properties
Melting Point
88-90℃
Vapour
0.00142mmHg at 25°C
Refractive Index
1.57
HS Code
29299090
Safety and Handling
Risk Statements
R45
Safety Statements
53-45
HazardClass
6.1(a)
PackingGroup
II
Transport
3249
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Carcinogenicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H350 May cause cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:233.696g/mol
  • Molecular Formula:C14H18N2O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.8
  • Exact Mass:233.093
  • Monoisotopic Mass:233.093
  • Complexity:219
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:61.8A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzMAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHgIcAAAACCvBAEQBAALAAAAJ AAAAEAAAAAAAAAAWAIAIAACAAAIAgABEAAAYFgIAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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