Home Carboxes 1025828-21-0
1025828-21-0,MFCD19687798
Catalog No.:AA0007QN
1025828-21-0 | Benzyl 3-oxoazepane-1-carboxylate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
1 week  
$232.00   $162.00
- +
1g
95%
1 week  
$505.00   $353.00
- +
5g
95%
1 week  
$1,365.00   $955.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0007QN
Chemical Name:
Benzyl 3-oxoazepane-1-carboxylate
CAS Number:
1025828-21-0
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD19687798
IUPAC Name:
benzyl 3-oxoazepane-1-carboxylate
InChI:
InChI=1S/C14H17NO3/c16-13-8-4-5-9-15(10-13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChI Key:
XEMFQWHEMOEYHP-UHFFFAOYSA-N
SMILES:
O=C1CCCCN(C1)C(=O)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
Benzyl 3-oxoazepane-1-carboxylate 
1025828-21-0 
ZINC38998981 
AKOS016008122 
FCH2790341 
AJ-97322 
AK104895 
AS-42010 
AB0081588 
AX8239103 
ST2412668 
TC-159636 
1-CBZ-3-OXOAZEPANE 
3-Oxohexahydro-1H-azepine-1-carboxylic acid benzyl ester 
Hexahydro-3-oxo-1H-azepine-1-carboxylic acid phenylmethyl ester 
Benzyl3-oxoazepane-1-carboxylate 
C14H17NO3 
CID10538448 
1H-AZEPINE-1-CARBOXYLIC ACID, HEXAHYDRO-3-OXO-, PHENYLMETHYL ESTER 
SCHEMBL5417320 
CTK8C3976 
DTXSID30441482 
0633AA 
ANW-70891 
MFCD19687798 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A