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1057338-27-8,MFCD11045433
Catalog No.:AA007WY9

1057338-27-8 | tert-Butyl 4-chloro-8,9-dihydro-5h-pyrimido[5,4-d]azepine-7(6h)-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$263.00   $184.00
- +
250mg
95%
in stock  
$466.00   $327.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007WY9
Chemical Name:
tert-Butyl 4-chloro-8,9-dihydro-5h-pyrimido[5,4-d]azepine-7(6h)-carboxylate
CAS Number:
1057338-27-8
Molecular Formula:
C13H18ClN3O2
Molecular Weight:
283.7539
MDL Number:
MFCD11045433
SMILES:
O=C(N1CCc2c(CC1)ncnc2Cl)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
332  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Literature
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SDS
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Tags:1057338-27-8 Molecular Formula|1057338-27-8 MDL|1057338-27-8 SMILES|1057338-27-8 tert-Butyl 4-chloro-8,9-dihydro-5h-pyrimido[5,4-d]azepine-7(6h)-carboxylate
Catalog No.: AA007WY9
1057338-27-8,MFCD11045433
1057338-27-8 | tert-Butyl 4-chloro-8,9-dihydro-5h-pyrimido[5,4-d]azepine-7(6h)-carboxylate
Pack Size： 100mg
Purity： 95%
in stock
$263.00 $184.00
Pack Size： 250mg
Purity： 95%
in stock
$466.00 $327.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007WY9
Chemical Name: tert-Butyl 4-chloro-8,9-dihydro-5h-pyrimido[5,4-d]azepine-7(6h)-carboxylate
CAS Number: 1057338-27-8
Molecular Formula: C13H18ClN3O2
Molecular Weight: 283.7539
MDL Number: MFCD11045433
SMILES: O=C(N1CCc2c(CC1)ncnc2Cl)OC(C)(C)C
Properties
Complexity: 332  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
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