3-(o-Methoxyphenoxy)-1-pyrrolidinepropanol carbanilate (ester) fumarate hydrate (2:1:1)

Base Information

• Chemical Name: 3-(o-Methoxyphenoxy)-1-pyrrolidinepropanol carbanilate (ester) fumarate hydrate (2:1:1)
• CAS No.: 23044-19-1
• Molecular Formula: C46H56N4O12
• Molecular Weight: 486.52

Synonyms:3-(o-Methoxyphenoxy)-1-pyrrolidinepropanol carbanilate (ester) fumarate hydrate (2:1:1);1-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, carbanilate (ester), fumarate, hydrate (2:1:1);C42H52N4O8.C4H4O4.H2O;C42-H52-N4-O8.C4-H4-O4.H2-O;LS-138170

Chemical Property of 3-(o-Methoxyphenoxy)-1-pyrrolidinepropanol carbanilate (ester) fumarate hydrate (2:1:1)

Chemical Property:

• Vapor Pressure: 2.08E-09mmHg at 25°C
• Boiling Point: 480.9°C at 760 mmHg
• Flash Point: 244.6°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 20
• Exact Mass: 856.38947323
• Heavy Atom Count: 62
• Complexity: 561

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC=C1OC2CCN(C2)CCCOC(=O)NC3=CC=CC=C3.COC1=CC=CC=C1OC2CCN(C2)CCCOC(=O)NC3=CC=CC=C3.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: COC1=CC=CC=C1OC2CCN(C2)CCCOC(=O)NC3=CC=CC=C3.COC1=CC=CC=C1OC2CCN(C2)CCCOC(=O)NC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

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