Name: Name:1H-1,4-Diazepine-1-carboxylic acid, hexahydro-2-(hydroxymethyl)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG001876
Rating: 90 (10 reviews)

1H-1,4-Diazepine-1-carboxylic acid, hexahydro-2-(hydroxymethyl)-, 1,1-dimethylethyl ester

CAS No.:

1381946-91-3

Catalog Number:

AG001876

Molecular Formula:

C11H22N2O3

Molecular Weight:

230.3040

Catalog Number:

AG001876

Chemical Name:

1H-1,4-Diazepine-1-carboxylic acid, hexahydro-2-(hydroxymethyl)-, 1,1-dimethylethyl ester

CAS Number:

1381946-91-3

Molecular Formula:

C11H22N2O3

Molecular Weight:

230.3040

MDL Number:

MFCD18206298

IUPAC Name:

tert-butyl 2-(hydroxymethyl)-1,4-diazepane-1-carboxylate

InChI:

InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-4-5-12-7-9(13)8-14/h9,12,14H,4-8H2,1-3H3

InChI Key:

ZBEPNWDUNCVGNX-UHFFFAOYSA-N

SMILES:

OCC1CNCCCN1C(=O)OC(C)(C)C

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.308g/mol

Monoisotopic Mass:

230.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2