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96440-80-1,MFCD18325158
Catalog No.:AA006QOX

96440-80-1 | 3-(1,1-Dimethylethyl)-5-methyl-1h-pyrazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$112.00   $78.00
- +
500mg
97%
in stock  
$171.00   $120.00
- +
1g
98%
in stock  
$261.00   $183.00
- +
5g
97%
in stock  
$846.00   $592.00
- +
10g
98%
in stock  
$1,640.00   $1,148.00
- +
25g
98%
in stock  
$3,004.00   $2,103.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA006QOX
Chemical Name:
3-(1,1-Dimethylethyl)-5-methyl-1h-pyrazole
CAS Number:
96440-80-1
Molecular Formula:
C8H14N2
Molecular Weight:
138.2102
MDL Number:
MFCD18325158
SMILES:
Cc1[nH]nc(c1)C(C)(C)C
Properties
Properties
 
Storage:
2-8℃;  

Computed Properties
 
Complexity:
115  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Das,Tuluma;Chakraborty,Amarnath;Sarkar,Amitabha[TetrahedronLetters,2014,vol.55,#52,p.7198-7202]

[2]Mukherjee,Anuradha;Sarkar,Amitabha[TetrahedronLetters,2004,vol.45,#52,p.9525-9528]

[3]Mukherjee,Anuradha;Subramanyam;Puranik,VedavatiG.;Mohandas,ThekkeP.;Sarkar,Amitabha[EuropeanJournalofInorganicChemistry,2005,vol.7,p.1254-1263]

[4]Fukuda,Takeshi;Goto,Riki;Kiho,Toshihiro;Ueda,Kenjiro;Muramatsu,Sumie;Hashimoto,Masami;Aki,Anri;Watanabe,Kengo;Tanaka,Naoki[BioorganicandMedicinalChemistryLetters,2017,vol.27,#16,p.3716-3722]

[5]DiFruscia,Paolo;Carbone,Anna;Bottegoni,Giovanni;Berti,Francesco;Giacomina,Francesca;Ponzano,Stefano;Pagliuca,Chiara;Fiasella,Annalisa;Pizzirani,Daniela;Ortega,JoseAntonio;Nuzzi,Andrea;Tarozzo,Glauco;Mengatto,Luisa;Giampà,Roberta;Penna,Ilaria;Russo,Debora;Romeo,Elisa;Summa,Maria;Bertorelli,Rosalia;Armirotti,Andrea;Bertozzi,SineMandrup;Reggiani,Angelo;Bandiera,Tiziano;Bertozzi,Fabio[JournalofMedicinalChemistry,2021,vol.64,#18,p.13327-13355]

[1]JournalofOrganometallicChemistry,1996,vol.511,p.115-127

Literature
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SDS
Tags:96440-80-1 Molecular Formula|96440-80-1 MDL|96440-80-1 SMILES|96440-80-1 3-(1,1-Dimethylethyl)-5-methyl-1h-pyrazole