Name: Name:[1,2,5]Triazepane-1,2-dicarboxylic acid di-tert-butyl ester
Brand: Angene
SKU: AG01DMX8
Rating: 90 (10 reviews)

[1,2,5]Triazepane-1,2-dicarboxylic acid di-tert-butyl ester

CAS No.:

952150-25-3

Catalog Number:

AG01DMX8

Molecular Formula:

C14H27N3O4

Molecular Weight:

301.3819

Catalog Number:

AG01DMX8

Chemical Name:

[1,2,5]Triazepane-1,2-dicarboxylic acid di-tert-butyl ester

CAS Number:

952150-25-3

Molecular Formula:

C14H27N3O4

Molecular Weight:

301.3819

MDL Number:

MFCD24395795

IUPAC Name:

ditert-butyl 1,2,5-triazepane-1,2-dicarboxylate

InChI:

InChI=1S/C14H27N3O4/c1-13(2,3)20-11(18)16-9-7-15-8-10-17(16)12(19)21-14(4,5)6/h15H,7-10H2,1-6H3

InChI Key:

YIMCWBVHSGIENW-UHFFFAOYSA-N

SMILES:

O=C(N1CCNCCN1C(=O)OC(C)(C)C)OC(C)(C)C

Complexity:

349

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.2g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.387g/mol

Monoisotopic Mass:

301.2g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5