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CS-W001157 4
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2-Amino-3-tert-butylbenzoic acid

  • CAS No. 917874-35-2

  • Cat. No. CS-0233542
  • Molecule weight193.24
  • Purity95+%
  • MDL No.None

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

2-Amino-3-tert-butylbenzoic acid|CS-0233542

Structure of 917874-35-2

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General Information

  • CAS No. 917874-35-2
  • Cat. No. CS-0233542
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO₂
  • Molecular Weight 193.24
  • Synonym(s) Benzoic acid,2-amino-3-(1,1-dimethylethyl)
  • SMILES O=C(O)C1=CC=CC(C(C)(C)C)=C1N

Synthesis

  • Route1
    • 7-(tert-Butyl)indoline-2,3-dione|CS-0667844
      57817-00-2
    • ~95%
    • 2-Amino-3-tert-butylbenzoic acid|CS-0233542
      917874-35-2

    References

    • Boyd, Maruta; Lee, Ho H.; Anderson, Robert F.; Denny, William A. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1994 , # 2 p. 291 - 296
  • Route2
    • null|null
      57816-96-3
    • ~%
    • 2-Amino-3-tert-butylbenzoic acid|CS-0233542
      917874-35-2

    References

    • Yamamoto, Gaku; Koseki, Ai; Sugita, Jun; Mochida, Hisashi; Minoura, Mao Bulletin of the Chemical Society of Japan, 2006 , vol. 79, # 10 p. 1585 - 1600
  • Route3

    References

    • Yamamoto, Gaku; Koseki, Ai; Sugita, Jun; Mochida, Hisashi; Minoura, Mao Bulletin of the Chemical Society of Japan, 2006 , vol. 79, # 10 p. 1585 - 1600

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.32
  • LogP   2.2645
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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