structure of 4-tert-Butoxycarbonylamino-cubane-1-carboxylic acid

4-tert-Butoxycarbonylamino-cubane-1-carboxylic acid

CAS No.: 1000931-72-5
M. Wt: 263.289
M. Fa: C14H17NO4
InChI Key: RQTXWKKAUMSKQA-UHFFFAOYSA-N
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Names and Identifiers of 1000931-72-5

CAS Number

1000931-72-5

EC Number

818-041-5

MDL Number

MFCD29060092

IUPAC Name

4-[(2-methylpropan-2-yl)oxycarbonylamino]cubane-1-carboxylic acid

InChI

InChI=1S/C14H17NO4/c1-12(2,3)19-11(18)15-14-7-4-8(14)6-9(14)5(7)13(4,6)10(16)17/h4-9H,1-3H3,(H,15,18)(H,16,17)

InChIKey

RQTXWKKAUMSKQA-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)NC12C3C4C1C5C2C3C45C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000931-72-5

Boiling Point

427.2±44.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

263.115753

Flash Point

212.2±28.4 °C

Index of Refraction

1.644

LogP

0.84

Molecular Formula

C14H17NO4

Molecular Weight

263.289

Vapour Pressure

0.0±2.2 mmHg at 25°C

Safety Information of 1000931-72-5

Pictograms

Signal Word

 Warning

Safety Data Sheet
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