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58422-60-9,MFCD11036533
Catalog No.:AA00ELMS

58422-60-9 | 2-(2-Methylphenyl)propanenitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$139.00   $97.00
- +
5g
95%
in stock  
$361.00 $253.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00ELMS
Chemical Name:
2-(2-Methylphenyl)propanenitrile
CAS Number:
58422-60-9
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
MDL Number:
MFCD11036533
SMILES:
N#CC(c1ccccc1C)C
Properties
Computed Properties
 
Complexity:
165  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Upstream Synthesis Route

[1]AngewandteChemie-InternationalEdition,2007,vol.46,#19,p.3556-3558

[1]Patent:WO2017/93149,2017,A1,.Locationinpatent:Page/Pagecolumn19

[1]JournaloftheAmericanChemicalSociety,2005,vol.127,#45,p.15824-15832

[1]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1985,vol.24,p.1195-1196

[1]EuropeanJournalofOrganicChemistry,2018,vol.2018,#14,p.1726-1729

[2]CollectionofCzechoslovakChemicalCommunications,1992,vol.57,#9,p.1967-1981

[3]JournalofOrganicChemistry,1983,vol.48,#22,p.4087-4096

Downstream Synthesis Route

[1]JournaloftheChemicalSociety,1956,p.808,809

[1]ZhurnalObshcheiKhimii,1958,vol.28,p.2283;engl.Ausg.S.2320    ZhurnalObshcheiKhimii,1959,vol.29,p.1728,1736;engl.Ausg.S.1706,1712

[2]JournaloftheChemicalSociety,1956,p.808,809

[1]JournaloftheAmericanChemicalSociety,1977,vol.99,p.1536-1542

[1]CollectionofCzechoslovakChemicalCommunications,1992,vol.57,p.1967-1981

[1]Farmaco,EdizioneScientifica,1980,vol.35,p.684-690

Literature
Quotation Request
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SDS
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33349-67-6
Tags:58422-60-9 Molecular Formula|58422-60-9 MDL|58422-60-9 SMILES|58422-60-9 2-(2-Methylphenyl)propanenitrile
Catalog No.: AA00ELMS
58422-60-9,MFCD11036533
58422-60-9 | 2-(2-Methylphenyl)propanenitrile
Pack Size： 1g
Purity： 95%
in stock
$139.00 $97.00
Pack Size： 5g
Purity： 95%
in stock
$361.00 $253.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00ELMS
Chemical Name: 2-(2-Methylphenyl)propanenitrile
CAS Number: 58422-60-9
Molecular Formula: C10H11N
Molecular Weight: 145.2010
MDL Number: MFCD11036533
SMILES: N#CC(c1ccccc1C)C
Properties
Complexity: 165  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Upstream Synthesis Route
363-86-0    19481-82-4    58422-60-9 

[1]AngewandteChemie-InternationalEdition,2007,vol.46,#19,p.3556-3558

625-28-5    611-15-4    58422-60-9    26016-32-0 

[1]Patent:WO2017/93149,2017,A1,.Locationinpatent:Page/Pagecolumn19

18151-58-1    95-46-5    58422-60-9 

[1]JournaloftheAmericanChemicalSociety,2005,vol.127,#45,p.15824-15832

34457-01-7    58422-60-9 

[1]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1985,vol.24,p.1195-1196

22364-68-7    74-88-4    58422-60-9 

[1]EuropeanJournalofOrganicChemistry,2018,vol.2018,#14,p.1726-1729

[2]CollectionofCzechoslovakChemicalCommunications,1992,vol.57,#9,p.1967-1981

[3]JournalofOrganicChemistry,1983,vol.48,#22,p.4087-4096

Downstream Synthesis Route
58422-60-9    5266-88-6 

[1]JournaloftheChemicalSociety,1956,p.808,809

22364-68-7    58422-60-9 

[1]ZhurnalObshcheiKhimii,1958,vol.28,p.2283;engl.Ausg.S.2320    ZhurnalObshcheiKhimii,1959,vol.29,p.1728,1736;engl.Ausg.S.1706,1712

[2]JournaloftheChemicalSociety,1956,p.808,809

58422-60-9    75-36-5    58422-67-6 

[1]JournaloftheAmericanChemicalSociety,1977,vol.99,p.1536-1542

35573-93-4    58422-60-9    145611-10-5 

[1]CollectionofCzechoslovakChemicalCommunications,1992,vol.57,p.1967-1981

58422-60-9    137144-15-1 

[1]Farmaco,EdizioneScientifica,1980,vol.35,p.684-690

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33349-67-6
33349-67-6
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