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Home > Encyclopedia > Methyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate

Methyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate

Methyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate structure

Methyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate 

structure
  • CAS No:

    130194-96-6

  • Formula:

    C16H19NO2

  • Chemical Name:

    Methyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate

  • Synonyms:

    2-Azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid,2-[(1R)-1-phenylethyl]-,methyl ester,(1S,3S,4R)-;2-Azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid,2-(1-phenylethyl)-,methyl ester,[1S-[1α,2(S*),3α,4α]]-;Methyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate;Methyl (1S,3S,4R)-2-((1R)-1-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Methyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate Basic Attributes

257.32800

257.33

807-723-8

Characteristics

29.54000

2.48740

white solid

47-48ºC

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:257.33
XLogP3:2.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:257.141578849
Monoisotopic Mass:257.141578849
Topological Polar Surface Area:29.5
Heavy Atom Count:19
Complexity:373
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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