CAS 117049-14-6 | Carbamic acid, N-[(1S)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl ester | CAS Number 117049-14-6

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117049-14-6 | Carbamic acid, N-[(1S)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl ester

CAS No: 117049-14-6 Catalog No: AG000DMK MDL No:MFCD00274206

Product Description

Catalog Number:

AG000DMK

Chemical Name:

Carbamic acid, N-[(1S)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl ester

CAS Number:

117049-14-6

Molecular Formula:

C13H19NO3

Molecular Weight:

237.2949

MDL Number:

MFCD00274206

IUPAC Name:

tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate

InChI:

InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)/t11-/m1/s1

InChI Key:

IBDIOGYTZBKRGI-LLVKDONJSA-N

SMILES:

OC[C@H](c1ccccc1)NC(=O)OC(C)(C)C

Properties

Complexity:

242

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.299g/mol

Monoisotopic Mass:

237.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Antithrombotic effects of S 18886, a novel orally active thromboxane A2 receptor antagonist.	Journal of thrombosis and haemostasis : JTH 20040301
Synthesis and biological evaluation of new tetrahydronaphthalene derivatives as thromboxane receptor antagonists.	Bioorganic & medicinal chemistry letters 19980602