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117009-97-9,MFCD01863703
Catalog No.:AA000DH3

117009-97-9 | 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-, phenylmethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$23.00   $16.00
- +
1g
95%
in stock  
$27.00   $19.00
- +
5g
95%
in stock  
$68.00   $48.00
- +
25g
95%
in stock  
$339.00   $238.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000DH3
Chemical Name:
1H-1,4-Diazepine-1-carboxylic acid, hexahydro-, phenylmethyl ester
CAS Number:
117009-97-9
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
MDL Number:
MFCD01863703
SMILES:
O=C(N1CCNCCC1)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
240  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.3  

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,p.1103-1107

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,p.1103-1107

[1]BioorganicandMedicinalChemistry,2013,vol.21,p.1628-1642

[2]ChemistryLetters,2006,vol.35,p.1090-1091

117009-97-9   
4-{4-(benzyloxy)carbonyl-1,4-diazepan-1-yl}benzoicacid 

[1]ChemistryLetters,2006,vol.35,p.1090-1091

[2]BioorganicandMedicinalChemistry,2013,vol.21,p.1628-1642

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,p.1103-1107

Literature
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SDS
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Tags:117009-97-9 Molecular Formula|117009-97-9 MDL|117009-97-9 SMILES|117009-97-9 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-, phenylmethyl ester |Heterocyclic_Building_Blocks