2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid Hydrate

Base Information

• Chemical Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid Hydrate
• CAS No.: 303094-23-7
• Molecular Formula: C13H17 N O4 . H2 O
• Molecular Weight: 251.2784
• DSSTox Substance ID: DTXSID70369358
• Mol file: 303094-23-7.mol

Synonyms:303094-23-7;2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid Hydrate;1-Isoquinolineaceticacid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrate (1:1);2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrate;SCHEMBL6489575;DTXSID70369358;WSPUEVDEUCKEEF-UHFFFAOYSA-N;CS-0345820;EN300-220930;6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolineacetic acid monohydrate;6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinoline acetic acid monohydrate, AldrichCPR

Chemical Property of 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid Hydrate

Chemical Property:

• Vapor Pressure: 1.43E-08mmHg at 25°C
• Melting Point: 233-237oC
• Boiling Point: 441.5°Cat760mmHg
• Flash Point: 220.8°C
• PSA: 77.02000
• Density: 1.182g/cm³
• LogP: 1.62980
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 269.12632271
• Heavy Atom Count: 19
• Complexity: 297

Purity/Quality:

98%min ^*data from raw suppliers

(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(NCCC2=C1)CC(=O)O)OC.O