Name: Name:TERT-BUTYL 4-(2-HYDROXYETHYL)AZEPANE-1-CARBOXYLATE
Brand: Angene
SKU: AG01DWG0
Rating: 90 (10 reviews)

TERT-BUTYL 4-(2-HYDROXYETHYL)AZEPANE-1-CARBOXYLATE

CAS No.:

473836-98-5

Catalog Number:

AG01DWG0

Molecular Formula:

C13H25NO3

Molecular Weight:

243.3425

Catalog Number:

AG01DWG0

Chemical Name:

TERT-BUTYL 4-(2-HYDROXYETHYL)AZEPANE-1-CARBOXYLATE

CAS Number:

473836-98-5

Molecular Formula:

C13H25NO3

Molecular Weight:

243.3425

MDL Number:

MFCD24469889

IUPAC Name:

tert-butyl 4-(2-hydroxyethyl)azepane-1-carboxylate

InChI:

InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-8-4-5-11(6-9-14)7-10-15/h11,15H,4-10H2,1-3H3

InChI Key:

PRBKOJFHUGVGDZ-UHFFFAOYSA-N

SMILES:

OCCC1CCCN(CC1)C(=O)OC(C)(C)C

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.183g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.347g/mol

Monoisotopic Mass:

243.183g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9