CAS 305-96-4 | Phenylalanine, 3-hydroxy-α-methyl- | CAS Number 305-96-4

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305-96-4 | Phenylalanine, 3-hydroxy-α-methyl-

CAS No: 305-96-4 Catalog No: AG0030DL MDL No:

Product Description

Catalog Number:

AG0030DL

Chemical Name:

Phenylalanine, 3-hydroxy-α-methyl-

CAS Number:

305-96-4

Molecular Formula:

C10H13NO3

Molecular Weight:

195.2151

IUPAC Name:

2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid

InChI:

InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-3-2-4-8(12)5-7/h2-5,12H,6,11H2,1H3,(H,13,14)

InChI Key:

CAHPJJJZLQXPKS-UHFFFAOYSA-N

SMILES:

Oc1cccc(c1)C[C@@](C(=O)O)(N)C

EC Number:

206-172-5

NSC Number:

92520

Properties

Complexity:

219

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.218g/mol

Monoisotopic Mass:

195.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.6

Literature

Title	Journal
Nigrostriatal cell firing action on the dopamine transporter.	The European journal of neuroscience 20070501
Efficacy of duloxetine, a potent and balanced serotonin-norepinephrine reuptake inhibitor in persistent pain models in rats.	The Journal of pharmacology and experimental therapeutics 20041101