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Home Carboxys 3,7-Diazabicyclo[4.1.0]heptane-3-carboxylic acid, phenylmethyl ester

3,7-Diazabicyclo[4.1.0]heptane-3-carboxylic acid, phenylmethyl ester

CAS No.:
444188-88-9
Catalog Number:
AG00I8FC
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$350
- +
1g
96%
In Stock USA
United States
$813
- +
5g
96%
In Stock USA
United States
$2438
- +
Product Description
Catalog Number:
AG00I8FC
Chemical Name:
3,7-Diazabicyclo[4.1.0]heptane-3-carboxylic acid, phenylmethyl ester
CAS Number:
444188-88-9
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD27988114
IUPAC Name:
benzyl 3,7-diazabicyclo[4.1.0]heptane-3-carboxylate
InChI:
InChI=1S/C13H16N2O2/c16-13(15-7-6-11-12(8-15)14-11)17-9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
InChI Key:
TXZYIWWGXYFCDA-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2C(C1)N2)OCc1ccccc1
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties