Home Carboxys 3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(phenylmethyl)-, 1,1-dimethylethyl ester

3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(phenylmethyl)-, 1,1-dimethylethyl ester

CAS No.:
149771-43-7
Catalog Number:
AG001M0F
Molecular Formula:
C18H26N2O2
Molecular Weight:
302.4112
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG001M0F
Chemical Name:
3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
149771-43-7
Molecular Formula:
C18H26N2O2
Molecular Weight:
302.4112
MDL Number:
MFCD24465640
IUPAC Name:
tert-butyl 3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
InChI:
InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-15-9-10-16(20)13-19(12-15)11-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3
InChI Key:
IOPMFGUNMBWHIS-UHFFFAOYSA-N
SMILES:
O=C(N1C2CCC1CN(C2)Cc1ccccc1)OC(C)(C)C
Properties
Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.199g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.418g/mol
Monoisotopic Mass:
302.199g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties