Name: Name:tert-butyl 7,7-dimethyl-5-oxo-1,4-diazepane-1-carboxylate
Brand: Angene
SKU: AG01BVPK
Rating: 90 (10 reviews)

tert-butyl 7,7-dimethyl-5-oxo-1,4-diazepane-1-carboxylate

CAS No.:

2059988-96-2

Catalog Number:

AG01BVPK

Molecular Formula:

C12H22N2O3

Molecular Weight:

242.3147

Catalog Number:

AG01BVPK

Chemical Name:

tert-butyl 7,7-dimethyl-5-oxo-1,4-diazepane-1-carboxylate

CAS Number:

2059988-96-2

Molecular Formula:

C12H22N2O3

Molecular Weight:

242.3147

MDL Number:

MFCD30497615

IUPAC Name:

tert-butyl 7,7-dimethyl-5-oxo-1,4-diazepane-1-carboxylate

InChI:

InChI=1S/C12H22N2O3/c1-11(2,3)17-10(16)14-7-6-13-9(15)8-12(14,4)5/h6-8H2,1-5H3,(H,13,15)

InChI Key:

PDGGIINOHWHYMD-UHFFFAOYSA-N

SMILES:

O=C1NCCN(C(C1)(C)C)C(=O)OC(C)(C)C

Complexity:

318

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.319g/mol

Monoisotopic Mass:

242.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8