Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Gastrointestinal agents  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Animal Pharmaceuticals  /  Other Auxiliary Agent
1,1'-Heptamethylenebis[3-methylquinuclidiniumiodide] (7CI) structure
1,1'-Heptamethylenebis[3-methylquinuclidiniumiodide] (7CI) structure

1,1'-Heptamethylenebis[3-methylquinuclidiniumiodide] (7CI)

Iupac Name:methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate
CAS No.:54965-21-8
Molecular Weight:265.331
1. Names and Identifiers
1.1 Name
1,1'-Heptamethylenebis[3-methylquinuclidiniumiodide] (7CI)
1.2 Synonyms

1,1'-(Heptane-1,7-diyl)bis(3-methyl-1-azabicyclo[2.2.2]octan-1-ium) diiodide 1,1'-Heptamethylenebis(3-methylquinuclidinium iodide) 101317-80-0 3-methyl-1-[7-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)heptyl]-1-azoniabicyclo[2.2.2]octane diiodide AC1MI60Y DTXSID20906055 -heptamethylenebis(3-methyl-, diiodide -Heptamethylenebis(3-methylquinuclidinium iodide) Quinuclidinium, 1,1'-heptamethylenebis(3-methyl-, diiodide

1.3 CAS No.
54965-21-8
1.4 CID
2082
1.5 Molecular Formula
C6H8N2 (isomer)
1.6 Inchi
InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
1.7 InChkey
HXHWSAZORRCQMX-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC
1.9 Isomers Smiles
CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC
2. 3D Conformer
3. Properties
3.1 Density
1.44
3.2 Melting Point
208-210℃
3.3 Boiling Point
°Cat760mmHg
3.4 Vapour
1.5X10-9 mm Hg at 25 deg C (est)
3.5 Refractive Index
1.634
3.6 Flash Point
107.2°C
4. Safety and Handling
4.1 Risk Statements
R36/37/38;R61
4.2 Safety Statements
S26;S37/39;S45;S53
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage fertility or the unborn child

Precautionary statement(s)
Prevention

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

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

6. Computational chemical data
  • Molecular Weight:265.331g/mol
  • Molecular Formula:C6H8N2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:265.08849790
  • Monoisotopic Mass:265.08849790
  • Complexity:291
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:92.3
  • Heavy Atom Count:18
  • 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
7. Similar Structures Products
8. Recommended Suppliers
Global534SuppliersView all >>
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:Helen@crovellbio.com
Albendazole USP26 Medicine Grade Albendazole Powder
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/11/12
Inquire
  • Products:pharmaceutical intermediate,anesthetic,ethyl alcohol,dimethocaine,procaine and so on
  • Tel:86-21-17303323439
  • Email:Defteros@shanghaihg.cn
Buy New Bulk Albendazole CAS 54965-21-8 99% Purity Albendazole Raw Material Powder Albendazole
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 30 USD/Kilogram
  • Time: 2021/10/14
Inquire
  • Products:Cangzhou Enke Pharma-tech Co.,Ltd (China) is a leading manufacturer of innovative chemistry products and services throughout the pharmaceutical R&D process and commercial production.
  • Tel:0086-317-5296180
  • Email:sale@enkepharma.com
Albendazole
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 111 USD/Kilogram
  • Time: 2021/09/30
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Albendazole CAS No.: 54965-21-8
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2021/06/08
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Albendazole CAS 54965-21-8 Nutritional Feed Additives Micro Powder For Pprogestogen
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/01/29
Inquire