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CS-W001157 4
Total: USD 88.00

2-(4-Benzylmorpholin-2-yl)acetonitrile

  • CAS No. 57962-45-5

  • Cat. No. CS-0331723
  • Purity95+%
  • MDL No.None

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

2-(4-Benzylmorpholin-2-yl)acetonitrile|CS-0331723

Structure of 57962-45-5

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General Information

  • CAS No. 57962-45-5
  • Cat. No. CS-0331723
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆N₂O
  • Molecular Weight 216.28
  • Synonym(s) 4-Benzyl-2-morpholineacetonitrile
  • SMILES C1=CC=C(C=C1)CN2CCOC(CC#N)C2

Synthesis

  • Route1

    References

    • HYUNDAI PHARM CO., LTD.; LEE, In Hee; PARK, Chang Min; KIM, Se Hoan; CHAE, Hee Il; PYEON, Doo Hyeok; SHIN, Myoung Hyeon; HWANG, Jeong Un; MOON, Soon Young; HA, Tae Young; KIM, So Youn; CHOI, Hyuk Joon; YOO, Myoung Hyun; LEE, Jong Chan; KIM, Young Seok; RHEE, Jae Keol Patent: WO2012/128582 A2, 2012 ; Location in patent: Page/Page column 44-45 ; WO 2012/128582 A2
  • Route2

    References

    • Kato; Morie; Hino; Kon; Naruto; Yoshida; Karasawa; Matsumoto Journal of Medicinal Chemistry, 1990 , vol. 33, # 5 p. 1406 - 1413
  • Route3

    References

    • Dainippon Pharmaceutical Co., Ltd. Patent: US4870074 A1, 1989 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   36.26
  • LogP   1.80108
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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