L-Ornithine 7-amido-4-methylcoumarin hydrochloride

Base Information

• Chemical Name: L-Ornithine 7-amido-4-methylcoumarin hydrochloride
• CAS No.: 98516-75-7
• Molecular Formula: C15H19 N3 O3
• Molecular Weight: 289.33
• DSSTox Substance ID: DTXSID101152017
• Mol file: 98516-75-7.mol

Synonyms:98516-75-7;L-Ornithine 7-amido-4-methylcoumarin hydrochloride;(S)-2,5-Diamino-N-(4-methyl-2-oxo-2H-chromen-7-yl)pentanamide;DTXSID101152017;AKOS030212945;O-3400;Pentanamide, 2,5-diamino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, (S)-

Chemical Property of L-Ornithine 7-amido-4-methylcoumarin hydrochloride

Chemical Property:

• PSA: 111.35000
• LogP: 2.57970
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 289.14264148
• Heavy Atom Count: 21
• Complexity: 436

Purity/Quality:

98%Min ^*data from raw suppliers

H-L-Orn-AMC*HCl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCN)N
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCN)N

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