CAS 5438-07-3 | 2-Amino-2-phenylbutanoic acid | CAS Number 5438-07-3

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5438-07-3 | 2-Amino-2-phenylbutanoic acid

CAS No: 5438-07-3 Catalog No: AG003GCO MDL No:MFCD00038162

Product Description

Catalog Number:

AG003GCO

Chemical Name:

2-Amino-2-phenylbutanoic acid

CAS Number:

5438-07-3

Molecular Formula:

C10H13NO2

Molecular Weight:

179.2157

MDL Number:

MFCD00038162

IUPAC Name:

2-amino-2-phenylbutanoic acid

InChI:

InChI=1S/C10H13NO2/c1-2-10(11,9(12)13)8-6-4-3-5-7-8/h3-7H,2,11H2,1H3,(H,12,13)

InChI Key:

UBXUDSPYIGPGGP-UHFFFAOYSA-N

SMILES:

CCC(c1ccccc1)(C(=O)O)N

NSC Number:

16593

Properties

Complexity:

187

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.219g/mol

Monoisotopic Mass:

179.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1

Literature

Title	Journal
Synthesis and structure-activity relationship studies for hydantoins and analogues as voltage-gated sodium channel ligands.	Journal of medicinal chemistry 20041216
Use of ionic liquids in a lipase-facilitated supported liquid membrane.	Biotechnology letters 20030501