Name: Name:tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate
Brand: Angene
SKU: AG01BGID
Rating: 90 (10 reviews)

tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate

CAS No.:

1823500-01-1

Catalog Number:

AG01BGID

Molecular Formula:

C12H22N2O2

Molecular Weight:

226.3153

Catalog Number:

AG01BGID

Chemical Name:

tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate

CAS Number:

1823500-01-1

Molecular Formula:

C12H22N2O2

Molecular Weight:

226.3153

MDL Number:

MFCD28098139

IUPAC Name:

tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate

InChI:

InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-5-4-6-10(8-14)13-9/h9-10,13H,4-8H2,1-3H3

InChI Key:

NRSXXKHXMGDSKT-UHFFFAOYSA-N

SMILES:

O=C(N1CC2CCCC(C1)N2)OC(C)(C)C

Complexity:

261

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.32g/mol

Monoisotopic Mass:

226.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4