1-Pyrrolidineethanamine, N-1,3-benzodioxol-5-yl-beta-((2-methylpropoxy)methyl)-N-(phenylmethyl)-, (E)-2-butenedioate (1:1)

Base Information

• Chemical Name: 1-Pyrrolidineethanamine, N-1,3-benzodioxol-5-yl-beta-((2-methylpropoxy)methyl)-N-(phenylmethyl)-, (E)-2-butenedioate (1:1)
• CAS No.: 97631-49-7
• Molecular Formula: C29H38N2O7
• Molecular Weight: 526.6212

Synonyms:CERM 11956;CERM-11956;N-1,3-benzodioxol-5-yl-B-((2-methylpropoxy)methyl)-N-(phenylmethyl)-1-pyrrolidineethanamide (E)-2-butenedioate (1:1)

Chemical Property of 1-Pyrrolidineethanamine, N-1,3-benzodioxol-5-yl-beta-((2-methylpropoxy)methyl)-N-(phenylmethyl)-, (E)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 3.84E-12mmHg at 25°C
• Boiling Point: 549.9°C at 760 mmHg
• Flash Point: 150.5°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 526.26790156
• Heavy Atom Count: 38
• Complexity: 612

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)OCC(CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)N4CCCC4.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCC(C)OCC(CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)N4CCCC4.C(=C/C(=O)O)\C(=O)O

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