1-Adamantanecarboxylic acid
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1-Adamantanecarboxylic acid
structure -
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CAS No:
828-51-3
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Formula:
C11H16O2
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Chemical Name:
1-Adamantanecarboxylic acid
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Synonyms:
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid;1-Adamantanecarboxylic acid;Adamantoic acid;1-Carboxyadamantane;1-Adamantane-1-carboxylic acid;NSC 94182;1-Adamantylcarboxylic acid
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CAS No:
Characteristics
37.3
2.6
White to off-white Crystalline Powder
1.2±0.1 g/cm3
181 °C
304.7°C at 760 mmHg
142.0±13.7 °C
1.573
Insoluble in water. Solubility in methanol gives very faint turbidity. soluble in ethanol, chloroform, and dichloromethane.
Store below +30°C.
Safety Information
NONH for all modes of transport
3
36/37/38
22-24/25-36-26
AU4452200
Xi
Irritant
Stable under normal temperatures and pressures.
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (28.57%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 14 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Adamantanecarboxylic acid Use and Manufacturing
Adamantoic Acid is an inhibitor of chorismate mutase activity and hydroxyphenylpyruvate synthase. It inhibits TTR conformational changes facilitating amyloid fibril formation.
Computed Properties
Molecular Weight:180.24
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:180.115029749
Monoisotopic Mass:180.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:216
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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