Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Others
Acetamide,N-[4-(3,4-dimethoxyphenyl)-4-ethyltetrahydro-2H-1,3-thiazin-2-ylidene]- structure
Acetamide,N-[4-(3,4-dimethoxyphenyl)-4-ethyltetrahydro-2H-1,3-thiazin-2-ylidene]- structure

Acetamide,N-[4-(3,4-dimethoxyphenyl)-4-ethyltetrahydro-2H-1,3-thiazin-2-ylidene]-

Iupac Name:N-(4-methoxyphenyl)acetamide
CAS No.:72156-70-8
Molecular Weight:166.184
1. Names and Identifiers
1.1 Name
Acetamide,N-[4-(3,4-dimethoxyphenyl)-4-ethyltetrahydro-2H-1,3-thiazin-2-ylidene]-
1.2 CAS No.
72156-70-8
1.3 CID
9793926
1.4 Molecular Formula
C12H17IO3 (isomer)
1.5 Inchi
InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)/i2+1
1.6 InChkey
XVAIDCNLVLTVFM-VQEHIDDOSA-N
1.7 Canonical Smiles
CC(=O)NC1=CC=C(C=C1)OC
1.8 Isomers Smiles
CC(=O)NC1=CC=C(C=C1)O[13CH3]
2. 3D Conformer
3. Properties
3.1 Melting Point
128-130 °C(lit.)
4. Safety and Handling
4.1 Risk Statements
22
4.2 Safety Statements
Hazard Codes XnRisk Statements 22WGK Germany 3 RTECS AE8290000
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:166.184g/mol
  • Molecular Formula:C12H17IO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.1
  • Exact Mass:166.082
  • Monoisotopic Mass:166.082
  • Complexity:151
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38.3A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:1
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAACAyBkAIyxoLABACI ACVSUACCCAAhIgAIiAAGbIgMJiLEsZuEMChk1BHI6AewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAA AA==
8. Recommended Suppliers
Global3SuppliersView all >>
  • Tel:+86-21-67811725
Methacetin (methoxy-13C) manufacturer
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/23
Inquire
  • Tel:1-(603) 635-1722
METHACETIN-METHOXY-13C
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire
METHACETIN-METHOXY-13C
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire