1,2-Propanediol, 3-((4-((2S)-2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)methoxy)-, 1,2-dinitrate, (2S)-

Base Information

• Chemical Name: 1,2-Propanediol, 3-((4-((2S)-2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)methoxy)-, 1,2-dinitrate, (2S)-
• CAS No.: 780825-97-0
• Molecular Formula: C16H25N3O9
• UNII: 5U7448TI2Z
• Wikidata: Q27262879

Synonyms:3-isopropylamino-1-(4-(2,3-dinitroxy)propoxymethyl)phenoxy-2'-propanol;PF 9404C;PF-9404C;PF9404C

Chemical Property of 1,2-Propanediol, 3-((4-((2S)-2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)methoxy)-, 1,2-dinitrate, (2S)-

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 403.15907938
• Heavy Atom Count: 28
• Complexity: 448

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)NCC(COC1=CC=C(C=C1)COCC(CO[N+](=O)[O-])O[N+](=O)[O-])O
• Isomeric SMILES: CC(C)NC[C@@H](COC1=CC=C(C=C1)COC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])O

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