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CS-W001157 4
Total: USD 88.00

4-(Pyrrolidin-1-ylmethyl)aniline hydrochloride

  • CAS No. 866956-98-1

  • Cat. No. CS-0466702
  • Purity≥98%
  • MDL No.MFCD08447180

*For research and further manufacturing use only, not for direct human use.

4-(Pyrrolidin-1-ylmethyl)aniline hydrochloride|CS-0466702

Structure of 866956-98-1

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General Information

  • CAS No. 866956-98-1
  • Cat. No. CS-0466702
  • Purity ≥98%
  • MDL No. MFCD08447180
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₇ClN₂
  • Molecular Weight 212.72
  • Synonym(s) 4-(Pyrrolidinomethyl)aniline HCl
  • SMILES C1CCN(C1)CC2=CC=C(C=C2)N.Cl

Synthesis

  • Route1
    • 4-(Pyrrolidin-1-ylmethyl)aniline|CS-0216142
      142335-64-6
    • ~61%
    • 4-(Pyrrolidin-1-ylmethyl)aniline hydrochloride|CS-0466702
      866956-98-1

    References

    • SIRTRIS PHARMACEUTICALS INC.; VU, Chi, B. Patent: WO2011/116176 A1, 2011 ; Location in patent: Page/Page column 86-87 ; WO 2011/116176 A1
  • Route2
    • null|null
      100-11-8
    • ~%
    • 4-(Pyrrolidin-1-ylmethyl)aniline hydrochloride|CS-0466702
      866956-98-1

    References

    • WO2011/116176 A1, ; WO 2011/116176 A1
  • Route3
    • 1-[(4-Nitrophenyl)methyl]pyrrolidine|CS-0212899
      133851-67-9
    • ~%
    • 4-(Pyrrolidin-1-ylmethyl)aniline hydrochloride|CS-0466702
      866956-98-1

    References

    • WO2011/116176 A1, ; WO 2011/116176 A1

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   29.26
  • LogP   2.2864
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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