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53981-38-7,MFCD00730969
Catalog No.:AA00378Q

53981-38-7 | Chroman-4-ylamine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$15.00   $10.00
- +
250mg
95%
in stock  
$24.00   $17.00
- +
1g
95%
in stock  
$33.00   $23.00
- +
5g
95%
in stock  
$153.00   $108.00
- +
10g
95%
in stock  
$294.00   $206.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00378Q
Chemical Name:
Chroman-4-ylamine
CAS Number:
53981-38-7
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
MDL Number:
MFCD00730969
SMILES:
NC1CCOc2c1cccc2
Properties
Properties
 
BP:
237.4°C at 760 mmHg  
Form:
Liquid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
138  
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:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.9  

Upstream Synthesis Route

[1]Patent:WO2006/81332,2006,A1,.Locationinpatent:Page/Pagecolumn98

[2]Science,2017,vol.358,#6361,p.326-332

[3]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1981,vol.20,#12,p.1063-1067

[4]JournalofOrganicChemistry,2010,vol.75,#15,p.5265-5270

[5]BioorganicandMedicinalChemistryLetters,2011,vol.21,#5,p.1338-1341

[6]Patent:WO2012/62750,2012,A1,

[7]EuropeanJournalofOrganicChemistry,2014,vol.2014,#31,p.7034-7038

[8]Patent:US2003/144297,2003,A1,

[1]Patent:US2003/144297,2003,A1,

[2]Patent:WO2012/62750,2012,A1,.Locationinpatent:Page/Pagecolumn49-50

[1]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1981,vol.20,#12,p.1063-1067

[2]Patent:WO2004/92164,2004,A1,.Locationinpatent:Page112

[3]Patent:US2005/234044,2005,A1,.Locationinpatent:Page/Pagecolumn39

[4]BioorganicandMedicinalChemistryLetters,2009,vol.19,#23,p.6788-6792

[1]Patent:WO2005/95326,2005,A2,.Locationinpatent:Page/Pagecolumn123-124

[2]Patent:WO2005/87714,2005,A2,.Locationinpatent:Page/Pagecolumn128-129;211-212

[1]EuropeanJournalofMedicinalChemistry,2010,vol.45,#1,p.25-37

Downstream Synthesis Route

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1981,vol.20,p.1063-1067

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1981,vol.20,p.1063-1067

[2]Patent:WO2004/92164,2004,A1.Locationinpatent:Page112

[3]Patent:US2005/234044,2005,A1.Locationinpatent:Page/Pagecolumn39

[4]BioorganicandMedicinalChemistryLetters,2009,vol.19,p.6788-6792

[1]JournalofMedicinalChemistry,1991,vol.34,p.1043-1049

53981-38-7    64-19-7   
(S)-N-Acetyl-1-amino-4-chroman 
 
N-((R)-3,4-dihydro-2H-chromen-4-yl)acetamide 

[1]Chemistry-AEuropeanJournal,2000,vol.6,p.1840-1846

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Quotation Request
Company Name:
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Additional Info:
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SDS
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Tags:53981-38-7 Molecular Formula|53981-38-7 MDL|53981-38-7 SMILES|53981-38-7 Chroman-4-ylamine
Catalog No.: AA00378Q
53981-38-7,MFCD00730969
53981-38-7 | Chroman-4-ylamine
Pack Size： 100mg
Purity： 95%
in stock
$15.00 $10.00
Pack Size： 250mg
Purity： 95%
in stock
$24.00 $17.00
Pack Size： 1g
Purity： 95%
in stock
$33.00 $23.00
Pack Size： 5g
Purity： 95%
in stock
$153.00 $108.00
Pack Size： 10g
Purity： 95%
in stock
$294.00 $206.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00378Q
Chemical Name: Chroman-4-ylamine
CAS Number: 53981-38-7
Molecular Formula: C9H11NO
Molecular Weight: 149.1897
MDL Number: MFCD00730969
SMILES: NC1CCOc2c1cccc2
Properties
BP: 237.4°C at 760 mmHg  
Form: Liquid  
Storage: Keep in dry area;2-8℃;  
Complexity: 138  
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: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.9  
Upstream Synthesis Route
491-37-2    53981-38-7 

[1]Patent:WO2006/81332,2006,A1,.Locationinpatent:Page/Pagecolumn98

[2]Science,2017,vol.358,#6361,p.326-332

[3]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1981,vol.20,#12,p.1063-1067

[4]JournalofOrganicChemistry,2010,vol.75,#15,p.5265-5270

[5]BioorganicandMedicinalChemistryLetters,2011,vol.21,#5,p.1338-1341

[6]Patent:WO2012/62750,2012,A1,

[7]EuropeanJournalofOrganicChemistry,2014,vol.2014,#31,p.7034-7038

[8]Patent:US2003/144297,2003,A1,

24541-01-3    53981-38-7 

[1]Patent:US2003/144297,2003,A1,

[2]Patent:WO2012/62750,2012,A1,.Locationinpatent:Page/Pagecolumn49-50

24541-01-3    53981-38-7 

[1]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1981,vol.20,#12,p.1063-1067

[2]Patent:WO2004/92164,2004,A1,.Locationinpatent:Page112

[3]Patent:US2005/234044,2005,A1,.Locationinpatent:Page/Pagecolumn39

[4]BioorganicandMedicinalChemistryLetters,2009,vol.19,#23,p.6788-6792

676133-62-3    53981-38-7 

[1]Patent:WO2005/95326,2005,A2,.Locationinpatent:Page/Pagecolumn123-124

[2]Patent:WO2005/87714,2005,A2,.Locationinpatent:Page/Pagecolumn128-129;211-212

238764-07-3    53981-38-7 

[1]EuropeanJournalofMedicinalChemistry,2010,vol.45,#1,p.25-37

Downstream Synthesis Route
75-21-8    53981-38-7    81816-61-7 

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1981,vol.20,p.1063-1067

24541-01-3    53981-38-7 

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1981,vol.20,p.1063-1067

[2]Patent:WO2004/92164,2004,A1.Locationinpatent:Page112

[3]Patent:US2005/234044,2005,A1.Locationinpatent:Page/Pagecolumn39

[4]BioorganicandMedicinalChemistryLetters,2009,vol.19,p.6788-6792

53981-38-7    2004-06-0    103659-72-9 

[1]JournalofMedicinalChemistry,1991,vol.34,p.1043-1049

53981-38-7    64-19-7   
(S)-N-Acetyl-1-amino-4-chroman 
 
N-((R)-3,4-dihydro-2H-chromen-4-yl)acetamide 

[1]Chemistry-AEuropeanJournal,2000,vol.6,p.1840-1846

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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Submit
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