Name: Name:1H-Azepine-1-carboxylic acid, hexahydro-2-hydroxy-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG0025T5
Rating: 90 (10 reviews)

1H-Azepine-1-carboxylic acid, hexahydro-2-hydroxy-, 1,1-dimethylethyl ester

CAS No.:

178172-34-4

Catalog Number:

AG0025T5

Molecular Formula:

C11H21NO3

Molecular Weight:

215.2893

Catalog Number:

AG0025T5

Chemical Name:

1H-Azepine-1-carboxylic acid, hexahydro-2-hydroxy-, 1,1-dimethylethyl ester

CAS Number:

178172-34-4

Molecular Formula:

C11H21NO3

Molecular Weight:

215.2893

MDL Number:

MFCD09031187

IUPAC Name:

tert-butyl 2-hydroxyazepane-1-carboxylate

InChI:

InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(12)13/h9,13H,4-8H2,1-3H3

InChI Key:

YUMNPYZNPVXWGB-UHFFFAOYSA-N

SMILES:

OC1CCCCCN1C(=O)OC(C)(C)C

Complexity:

222

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.293g/mol

Monoisotopic Mass:

215.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3