Name: Name:tert-butyl 5-amino-octahydro-1H-isoindole-2-carboxylate, Mixture of diastereomers
Brand: Angene
SKU: AG01C2CL
Rating: 90 (10 reviews)

tert-butyl 5-amino-octahydro-1H-isoindole-2-carboxylate, Mixture of diastereomers

CAS No.:

1252572-44-3

Catalog Number:

AG01C2CL

Molecular Formula:

C13H24N2O2

Molecular Weight:

240.3419

Catalog Number:

AG01C2CL

Chemical Name:

tert-butyl 5-amino-octahydro-1H-isoindole-2-carboxylate, Mixture of diastereomers

CAS Number:

1252572-44-3

Molecular Formula:

C13H24N2O2

Molecular Weight:

240.3419

MDL Number:

MFCD22370035

IUPAC Name:

tert-butyl 5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate

InChI:

InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-9-4-5-11(14)6-10(9)8-15/h9-11H,4-8,14H2,1-3H3

InChI Key:

LLTJKZQPTQJCDC-UHFFFAOYSA-N

SMILES:

NC1CCC2C(C1)CN(C2)C(=O)OC(C)(C)C

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.184g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.347g/mol

Monoisotopic Mass:

240.184g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4