N-Boc-5-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid

Base Information

• Chemical Name: N-Boc-5-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid
• CAS No.: 155367-45-6
• Molecular Formula: C16H21 N O4
• Molecular Weight: 291
• European Community (EC) Number: 695-321-1
• Mol file: 155367-45-6.mol

Synonyms:155367-45-6;N-Boc-5-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid

Chemical Property of N-Boc-5-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid

Chemical Property:

• Vapor Pressure: 6.52E-09mmHg at 25°C
• Melting Point: 143.05°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 450.7°C at 760 mmHg
• PKA: 3.88±0.20(Predicted)
• Flash Point: 226.4°C
• PSA: 66.84000
• Density: 1.1049 (rough estimate)
• LogP: 2.67930
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 290.13923312
• Heavy Atom Count: 21
• Complexity: 410

Purity/Quality:

98%min ^*data from raw suppliers

BOC-DL-5-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2CC(N(CC2=CC=C1)C(=O)OC(C)(C)C)C(=O)[O-]
• Isomeric SMILES: CC1=C2C[C@H](N(CC2=CC=C1)C(=O)OC(C)(C)C)C(=O)[O-]