Home Carboxys Pyrazino[2,1-c][1,4]oxazine-8(1H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester

Pyrazino[2,1-c][1,4]oxazine-8(1H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester

CAS No.:
1630906-78-3
Catalog Number:
AG001TPR
Molecular Formula:
C12H22N2O3
Molecular Weight:
242.3147
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Product Description
Catalog Number:
AG001TPR
Chemical Name:
Pyrazino[2,1-c][1,4]oxazine-8(1H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester
CAS Number:
1630906-78-3
Molecular Formula:
C12H22N2O3
Molecular Weight:
242.3147
MDL Number:
MFCD28502670
IUPAC Name:
tert-butyl 3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate
InChI:
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-5-4-13-6-7-16-9-10(13)8-14/h10H,4-9H2,1-3H3
InChI Key:
NIKUVZOPRNLZMI-UHFFFAOYSA-N
SMILES:
O=C(N1CCN2C(C1)COCC2)OC(C)(C)C
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.163g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.319g/mol
Monoisotopic Mass:
242.163g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties