Name: Name:1-Benzyl 9-Tert-Butyl 1,4,9-Triazaspiro[5.5]Undecane-1,9-Dicarboxylate
Brand: Angene
SKU: AG00HI0T
Rating: 90 (10 reviews)

1-Benzyl 9-Tert-Butyl 1,4,9-Triazaspiro[5.5]Undecane-1,9-Dicarboxylate

CAS No.:

1251008-98-6

Catalog Number:

AG00HI0T

Molecular Formula:

C21H31N3O4

Molecular Weight:

389.4885

Catalog Number:

AG00HI0T

Chemical Name:

1-Benzyl 9-Tert-Butyl 1,4,9-Triazaspiro[5.5]Undecane-1,9-Dicarboxylate

CAS Number:

1251008-98-6

Molecular Formula:

C21H31N3O4

Molecular Weight:

389.4885

MDL Number:

MFCD14581155

IUPAC Name:

1-O-benzyl 9-O-tert-butyl 1,4,9-triazaspiro[5.5]undecane-1,9-dicarboxylate

InChI:

InChI=1S/C21H31N3O4/c1-20(2,3)28-18(25)23-12-9-21(10-13-23)16-22-11-14-24(21)19(26)27-15-17-7-5-4-6-8-17/h4-8,22H,9-16H2,1-3H3

InChI Key:

ATDGPGLBEKGNMQ-UHFFFAOYSA-N

SMILES:

O=C(N1CCNCC21CCN(CC2)C(=O)OC(C)(C)C)OCc1ccccc1

Complexity:

546

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

389.231g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

389.496g/mol

Monoisotopic Mass:

389.231g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2