Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceuticals and Biochemicals  /  Others  /  Organic Intermediates
3,9-Diazabicyclo[4.2.1]nonane, 9-(6-chloro-5-methyl-3-pyridinyl)-,(1S,6R)- structure
3,9-Diazabicyclo[4.2.1]nonane, 9-(6-chloro-5-methyl-3-pyridinyl)-,(1S,6R)- structure

3,9-Diazabicyclo[4.2.1]nonane, 9-(6-chloro-5-methyl-3-pyridinyl)-,(1S,6R)-

Iupac Name:5,6,7,8-tetrahydroquinoline
CAS No.:10500-57-9
Molecular Weight:133.194
1. Names and Identifiers
1.1 Name
3,9-Diazabicyclo[4.2.1]nonane, 9-(6-chloro-5-methyl-3-pyridinyl)-,(1S,6R)-
1.2 CAS No.
10500-57-9
1.3 CID
66335
1.4 Molecular Formula
C12H17N3 (isomer)
1.5 Inchi
InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H2
1.6 InChkey
YQDGQEKUTLYWJU-UHFFFAOYSA-N
1.7 Canonical Smiles
C1CCC2=C(C1)C=CC=N2
1.8 Isomers Smiles
C1CCC2=C(C1)C=CC=N2
2. 3D Conformer
3. Properties
3.1 Melting Point
222 °C
3.2 Refractive Index
1.5420 to 1.5450
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
26-36/37/39
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

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:133.194g/mol
  • Molecular Formula:C12H17N3
  • Compound Is Canonicalized:True
  • Exact Mass:133.089
  • Monoisotopic Mass:133.089
  • Complexity:111
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12.9A^2
  • Heavy Atom Count:10
  • 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: AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxgAAAHAAAAAAADAjBHgQ8gJIIEACg AzRnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgIAOAAAAAAAAAAAAAAAAAAQAAAAAAAAA AA==
8. Recommended Suppliers
Global171SuppliersView all >>
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply 5,6,7,8-tetrahydroquinoline
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/Kilogram
  • Time: 2021/03/09
Inquire
  • Products:Resveratrol, Pterostilbene, Oxyresveratrol, Acetyl Resveratrol, tetrahydroquinolines, Nonivamide, 7-hydroxy-3,4-dihydrocarbostyril, 3-Methylpyrazole, 1,3,5-Trimethylpyrazole ,
  • Tel:86-571-28313180
  • Email:marketing@great-forest.com
5,6,7,8-Tetrahydroquinoline
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 RMB/Gram
  • Time: 2019/07/19
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
5,6,7,8-Tetrahydroquinoline
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 2 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Our company is an internationally oriented research based pharmaceutical company with headquarters located in Hangzhou,China.
  • Tel:86-571-87758773
  • Email:balas@utanpharma.com
5,6,7,8-Tetrahydroquinoline
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0 USD/Kilogram
  • Time: 2019/12/18
Inquire
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829152
  • Email:market@royalpharms.com
2,3-Cyclohexenopyridine
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/Kilogram
  • Time: 2019/12/06
Inquire