Name: Name:1-tert-butyl 3-Methyl 1,4-diazepane-1,3-dicarboxylate-HCl
Brand: Angene
SKU: AG009XFJ
Rating: 90 (10 reviews)

1-tert-butyl 3-Methyl 1,4-diazepane-1,3-dicarboxylate-HCl

CAS No.:

1253789-07-9

Catalog Number:

AG009XFJ

Molecular Formula:

C12H22N2O4

Molecular Weight:

258.3141

Catalog Number:

AG009XFJ

Chemical Name:

1-tert-butyl 3-Methyl 1,4-diazepane-1,3-dicarboxylate-HCl

CAS Number:

1253789-07-9

Molecular Formula:

C12H22N2O4

Molecular Weight:

258.3141

MDL Number:

MFCD16295149

IUPAC Name:

1-O-tert-butyl 3-O-methyl 1,4-diazepane-1,3-dicarboxylate

InChI:

InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-7-5-6-13-9(8-14)10(15)17-4/h9,13H,5-8H2,1-4H3

InChI Key:

YSYMUPJCVXOHAH-UHFFFAOYSA-N

SMILES:

COC(=O)C1NCCCN(C1)C(=O)OC(C)(C)C

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.158g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.318g/mol

Monoisotopic Mass:

258.158g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8