ChemicalBook--->CAS DataBase List--->42381-05-5

42381-05-5

42381-05-5 Structure

42381-05-5 Structure
IdentificationBack Directory
[Name]

2-aminoadamantane-2-carboxylic acid
[CAS]

42381-05-5
[Synonyms]

2-aminoadamantane-2-carboxylic acid
2-AMino-2-adaMantanecarboxylic acid
Tricyclo[3.3.1.13,7]decane-2-carboxylic acid, 2-amino-
[Molecular Formula]

C11H17NO2
[MDL Number]

MFCD09264341
[MOL File]

42381-05-5.mol
[Molecular Weight]

195.26
Chemical PropertiesBack Directory
[Boiling point ]

346.2±25.0 °C(Predicted)
[density ]

1.238±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Solid
[pka]

2.49±0.20(Predicted)
[color ]

Off-white to brown
[InChI]

InChI=1S/C11H17NO2/c12-11(10(13)14)8-2-6-1-7(4-8)5-9(11)3-6/h6-9H,1-5,12H2,(H,13,14)
[InChIKey]

WQMQRNCPZFUGID-UHFFFAOYSA-N
[SMILES]

C12CC3CC(CC(C3)C1(N)C(O)=O)C2
Questions And AnswerBack Directory
[Uses]

Adamantanine is a γ-turn inducer for peptides. A potential cholecystokinin-B (CCK-B) receptor selective ligands. Also, it inhibits the transport of L-leucine and L-methionine into Ehrlich ascites cells.
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[HazardClass ]

IRRITANT
[HS Code ]

2922498590
Hazard InformationBack Directory
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 16, p. 823, 1973 DOI: 10.1021/jm00265a016
[in vivo]

Adamantanine (500 mg/kg, i.p., single dose; 1000 mg/kg, p.o., single dose) is non-toxic in Sprague Dawley rats model as a a finely pulverized suspension[2].

Animal Model:Sprague-Dawley rats model[2]
Dosage:500-1000 mg/kg
Administration:i.p., single dose; p.o., single dose
Result:Exhibited no toxicity.
Spectrum DetailBack Directory
[Spectrum Detail]

2-aminoadamantane-2-carboxylic acid(42381-05-5)1HNMR
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