tert-butyl 1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxylate


Chemical Name: tert-butyl 1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxylate
CAS Number: 186203-81-6
Product Number: AG003N3D(AGN-PC-0I2SQJ)
Synonyms:
MDL No: MFCD11858524
Molecular Formula: C12H22N2O2
Molecular Weight: 226.3153

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
226.32g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
226.168g/mol
Monoisotopic Mass:
226.168g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
273
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3077
Hazard Statements:
H410
Precautionary Statements:
P273
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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