Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Isoquinolinium,2-methyl-, iodide (1:1)

Related Products

Hot Products

Name

Isoquinolinium,2-methyl-, iodide (1:1)

EINECS N/A
CAS No. 3947-77-1 Density N/A
PSA 3.88000 LogP -1.33170
Solubility N/A Melting Point N/A
Formula C10H10N.I Boiling Point N/A
Molecular Weight 271.101 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3947-77-1 (2-Methylisoquinoliniumiodide) Hazard Symbols N/A
Synonyms

2-Methylisoquinoliniumiodide (6CI,7CI);Isoquinolinium, 2-methyl-, iodide (8CI,9CI);Isoquinolinemethiodide;N-Methylisoquinoline iodide;N-Methylisoquinolinium iodide;NSC 43873;AI3-51341;

Article Data 25

Isoquinolinium,2-methyl-, iodide (1:1) Specification

The Isoquinolinium,2-methyl-, iodide (1:1) with CAS registry number of 3947-77-1 is also known as N-Methylisoquinolinium iodide. The IUPAC name is 2-Methylisoquinolin-2-ium iodide. In addition, the formula is C10H10N.I and the molecular weight is 271.10.

Physical properties about Isoquinolinium,2-methyl-, iodide (1:1) are: (1)ACD/LogP: -2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.36; (4)ACD/LogD (pH 7.4): -2.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.24; (8)ACD/KOC (pH 7.4): 1.24; (9)#H bond acceptors: 1; (10)Polar Surface Area: 3.88Å2.

Preparation of Isoquinolinium,2-methyl-, iodide (1:1): it is prepared by reaction of isoquinoline with iodomethane. The reaction needs solvent ethanol with other condition of heating for 2 hours. The yield is about 94%.

Isoquinolinium,2-methyl-, iodide (1:1) is prepared by reaction of isoquinoline with iodomethane.

Uses of Isoquinolinium,2-methyl-, iodide (1:1): it is used to produce 2-methyl-1,2,3,4-tetrahydro-isoquinoline. The reaction occurs with reagent sodium borohydride and solvents methanol, H2O with other condition of heating for 20 minutes. The yield is about 79%.

Isoquinolinium,2-methyl-, iodide (1:1) is used to produce 2-methyl-1,2,3,4-tetrahydro-isoquinoline.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C[N+]1=CC2=CC=CC=C2C=C1.[I-]
2. InChI: InChI=1S/C10H10N.HI/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-8H,1H3;1H/q+1;/p-1
3. InChIKey: ITZIDCFSZHTXJH-UHFFFAOYSA-M

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04035,
rabbit LDLo subcutaneous 300mg/kg (300mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 695, 1948.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 3947-77-1