Name: Name:3,7,9-Triazabicyclo[3.3.1]nonane-3-carboxylic acid, 1,1-dimethylethylester
Brand: Angene
SKU: AG00IE88
Rating: 90 (10 reviews)

3,7,9-Triazabicyclo[3.3.1]nonane-3-carboxylic acid, 1,1-dimethylethylester

CAS No.:

868407-41-4

Catalog Number:

AG00IE88

Molecular Formula:

C11H21N3O2

Molecular Weight:

227.3033

Catalog Number:

AG00IE88

Chemical Name:

3,7,9-Triazabicyclo[3.3.1]nonane-3-carboxylic acid, 1,1-dimethylethylester

CAS Number:

868407-41-4

Molecular Formula:

C11H21N3O2

Molecular Weight:

227.3033

MDL Number:

MFCD23106402

IUPAC Name:

tert-butyl 3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylate

InChI:

InChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-6-8-4-12-5-9(7-14)13-8/h8-9,12-13H,4-7H2,1-3H3

InChI Key:

PVQMNBCRCMEPFN-UHFFFAOYSA-N

SMILES:

O=C(N1CC2CNCC(C1)N2)OC(C)(C)C

Complexity:

263

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.308g/mol

Monoisotopic Mass:

227.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1