1-Adamantanecarboxylic acid

HCID 13235CAS 15897-81-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C12CC3CC(CC(C3)C1)C2
InChIKey
JIMXXGFJRDUSRO-UHFFFAOYSA-N
Molecular formula
C11H16O2
Average molar mass
180.24 g/mol
Monoisotopic mass
180.11502975

Names & identifiers

Preferred name
1-Adamantanecarboxylic acid
IUPAC
adamantane-1-carboxylic acid
English name
1-Adamantanecarboxylic acid
Molecular formula
C11H16O2
Molecular weight
180.24

Names & synonyms

1-Adamantanecarboxylic acid828-51-3Adamantoic acidAdamantanecarboxylic acidRefChem:552944DTXCID101505931DTXSID901020894212-584-6Adamantane-1-carboxylic acid1-Carboxyadamantane1-adamantane carboxylic acidMFCD00074720
Show more names
1-Adamantyl Carboxylic Acid1-AdamantanecarboxyL1-AdamantanecarboxylicAdamantane-1-carboxylic acid 99%Saxaint-KAKOS BC-06551-ADAMANTOIC ACID
3-ADAMANTANECARBOXYLIC ACIDadamantane carboxylic acidCHEMBL1705681-Adamantane-1-carboxylic acidtricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid(3r,5r,7r)-adamantane-1-carboxylic acidTricyclo[3.3.1.13,7]decane-1-carboxylic acidadamantane-carboxylic acid

Database identifiers

CAS
15897-81-1、828-51-3
PubChem CID
13235
DTXSID
DTXSID40870784
ChEMBL
CHEMBL170568、CHEMBL5186120
EC Number
212-584-6
Nikkaji
J108B

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Organic Acids
Physical DescriptionWhite powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
172 · 172-174 °C (lit.)
Boiling point
253.08 °C · 253.08°C (rough estimate)
Density
0.9976 · 0.9976 (rough estimate)
refractive index
1.491 · 1.4910 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform, Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23651

Tricyclo3.3.1.13,7decane-1-carboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal lethal-dose (mouse) >600 mg/kg; Causes anticonvulsant behavior in lethal-dose studies of mice (route unreported); [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (28.6%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
AU4452200
hs_code
29162000
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications · 3 items

UsesAdamantoic Acid is an inhibitor of chorismate mutase activity and hydroxyphenylpyruvate synthase. It inhibits TTR conformational changes facilitating amyloid fibril formation.

UsesIt can be used as a stabilizer in the synthesis of monodisperse, highly crystalline CoPt3 nanoparticles1 and porous platinum nanoparticles. It is a potent and reversible CerK inhibitor.

Uses1-Adamantanecarboxylic acid can be used as: A stabilizer in the synthesis of monodisperse, highly crystalline CoPt3nanoparticles and porous platinum nanoparticles.An additive in polycondensation reactions to yield conjugated polymers as possible optoelectronic materials.An additive in the allylic substitution reaction, which is catalyzed by palladium in an aqueous medium.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

144 records
New reaction record

Linked notes

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