CAS 13211-31-9 | L-Valine, 1,1-dimethylethyl ester | CAS Number 13211-31-9

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13211-31-9 | L-Valine, 1,1-dimethylethyl ester

CAS No: 13211-31-9 Catalog No: AG001089 MDL No:MFCD00056147

Product Description

Catalog Number:

AG001089

Chemical Name:

L-Valine, 1,1-dimethylethyl ester

CAS Number:

13211-31-9

Molecular Formula:

C9H19NO2

Molecular Weight:

173.2527

MDL Number:

MFCD00056147

IUPAC Name:

tert-butyl (2S)-2-amino-3-methylbutanoate

InChI:

InChI=1S/C9H19NO2/c1-6(2)7(10)8(11)12-9(3,4)5/h6-7H,10H2,1-5H3/t7-/m0/s1

InChI Key:

RJBVJBGFJIHJSZ-ZETCQYMHSA-N

SMILES:

CC([C@@H](C(=O)OC(C)(C)C)N)C

EC Number:

236-180-4

Properties

Complexity:

158

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

173.256g/mol

Monoisotopic Mass:

173.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Discovery and Structure-Activity Relationships of the Neoseptins: A New Class of Toll-like Receptor-4 (TLR4) Agonists.	Journal of medicinal chemistry 20160526
Synthetic biotechnology to study and engineer ribosomal bottromycin biosynthesis.	Chemistry & biology 20121026
Microwave-assisted synthesis of the Tp sandwich compound TpRu(p-Br-C6H4Tp) and application of its benzoic acid derivative TpRu(p-(CO2H)-C6H4Tp) in the covalent labelling of biomolecules.	Dalton transactions (Cambridge, England : 2003) 20110207
Highly enantioselective transfer hydrogenation of alpha,beta-unsaturated ketones.	Journal of the American Chemical Society 20061018