Name: Name:(1S,6R)-3-Boc-3,7-diazabicyclo[4.2.0]octane
Brand: Angene
SKU: AG001H2N
Rating: 90 (10 reviews)

(1S,6R)-3-Boc-3,7-diazabicyclo[4.2.0]octane

CAS No.:

1417789-49-1

Catalog Number:

AG001H2N

Molecular Formula:

C11H20N2O2

Molecular Weight:

212.2887

Catalog Number:

AG001H2N

Chemical Name:

(1S,6R)-3-Boc-3,7-diazabicyclo[4.2.0]octane

CAS Number:

1417789-49-1

Molecular Formula:

C11H20N2O2

Molecular Weight:

212.2887

MDL Number:

MFCD21332889

IUPAC Name:

tert-butyl (1S,6R)-3,7-diazabicyclo[4.2.0]octane-3-carboxylate

InChI:

InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-4-9-8(7-13)6-12-9/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1

InChI Key:

TUIAJQPTVCSWOB-DTWKUNHWSA-N

SMILES:

O=C(N1CC[C@@H]2[C@H](C1)CN2)OC(C)(C)C

Complexity:

260

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.293g/mol

Monoisotopic Mass:

212.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9