Leucinamide-beta-carboline-3-carboxylate methyl ester

Base Information

• Chemical Name: Leucinamide-beta-carboline-3-carboxylate methyl ester
• CAS No.: 110672-77-0
• Molecular Formula: C19H21 N3 O3
• Molecular Weight: 339.3883
• DSSTox Substance ID: DTXSID10149353
• ChEMBL ID: CHEMBL1507229
• Mol file: 110672-77-0.mol

Synonyms:Leu-b-CCME;leucinamide-beta-carboline-3-carboxylate methyl ester

Chemical Property of Leucinamide-beta-carboline-3-carboxylate methyl ester

Chemical Property:

• Vapor Pressure: 6.65E-15mmHg at 25°C
• Boiling Point: 611.7°Cat760mmHg
• Flash Point: 323.8°C
• PSA: 121.10000
• Density: 1.243g/cm³
• LogP: 3.61130
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 339.15829154
• Heavy Atom Count: 25
• Complexity: 496

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)OC)NC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
• Isomeric SMILES: CC(C)C[C@@H](C(=O)OC)NC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2

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