CAS 117259-23-1 | Cyclohexanecarboxylic acid, 1-amino-4-phenyl- | CAS Number 117259-23-1

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117259-23-1 | Cyclohexanecarboxylic acid, 1-amino-4-phenyl-

CAS No: 117259-23-1 Catalog No: AG000E0A MDL No:MFCD07776209

Product Description

Catalog Number:

AG000E0A

Chemical Name:

Cyclohexanecarboxylic acid, 1-amino-4-phenyl-

CAS Number:

117259-23-1

Molecular Formula:

C13H17NO2

Molecular Weight:

219.2796

MDL Number:

MFCD07776209

IUPAC Name:

1-amino-4-phenylcyclohexane-1-carboxylic acid

InChI:

InChI=1S/C13H17NO2/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)

InChI Key:

TWAYLYPZRSXEOS-UHFFFAOYSA-N

SMILES:

OC(=O)C1(N)CCC(CC1)c1ccccc1

Properties

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.284g/mol

Monoisotopic Mass:

219.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6

Literature

Title	Journal
Design, synthesis and biological activity of new neurohypophyseal hormones analogues conformationally restricted in the N-terminal part of the molecule. Highly potent OT receptor antagonists.	Amino acids 20120801
Diethyl 4-hy-droxy-4-methyl-6-oxo-2-phenyl-cyclo-hexane-1,3-dicarboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20100801
Discovery of 1-amino-4-phenylcyclohexane-1-carboxylic acid and its influence on agonist selectivity between human melanocortin-4 and -1 receptors in linear pentapeptides.	Bioorganic & medicinal chemistry letters 20051115