1-Adamantanecarboxylic acid - CAS 828-51-3
Catalog: |
BB036926 |
Product Name: |
1-Adamantanecarboxylic acid |
CAS: |
828-51-3 |
Synonyms: |
adamantane-1-carboxylic acid |
IUPAC Name: | adamantane-1-carboxylic acid |
Description: | 1-Adamantanecarboxylic acid (CAS# 828-51-3) is an inhibitor of chorismate mutase activity and hydroxyphenylpyruvate synthase. It inhibits TTR conformational changes facilitating amyloid fibril formation. |
Molecular Weight: | 180.24 |
Molecular Formula: | C11H16O2 |
Canonical SMILES: | C1C2CC3CC1CC(C2)(C3)C(=O)O |
InChI: | InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13) |
InChI Key: | JIMXXGFJRDUSRO-UHFFFAOYSA-N |
Boiling Point: | 304.7 ℃ at 760 mmHg |
Purity: | > 95 % |
Density: | 1.23 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00074720 |
LogP: | 2.28740 |
GHS Hazard Statement: | H302 (28.57%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461551-A | 3-amino-1-adamantanol and preparation method and application thereof | 20210701 |
CN-113185537-A | Rhodium-catalyzed reaction of 4-phenyloxadiazolone and vinylene carbonate for synthesizing three types of isoquinoline heterocycle | 20210520 |
CN-113185523-A | Synthetic method of 3-indolone [ spiro ] -3H-indole compound | 20210517 |
CN-113185536-A | Synthesis method of pyrazolidone benzo 1, 3-oxygen-nitrogen hetero-compound | 20210429 |
CN-112876507-A | Trisubstituted olefin tertiary phosphine compound and preparation method thereof | 20210331 |
PMID | Publication Date | Title | Journal |
22590119 | 20120501 | Bis[μ-N'-(adamantan-1-ylcarbon-yl)-2-oxidobenzohydrazidato(3-)]tetra-pyridine-trinickel(II) dimethyl-formamide monosolvate monohydrate | Acta crystallographica. Section E, Structure reports online |
22102443 | 20111216 | Huge dielectric response and molecular motions in paddle-wheel [Cu(II)2(adamantylcarboxylate)4(DMF)2]⋅(DMF)2 | Chemistry (Weinheim an der Bergstrasse, Germany) |
22027591 | 20111025 | Redox-responsive self-healing materials formed from host-guest polymers | Nature communications |
21557624 | 20110617 | Fluorescent β-cyclodextrins modified by isomeric aminobenzamides: synthesis, conformational analysis, and fluorescent behaviors | The Journal of organic chemistry |
21574547 | 20110602 | β-Cyclodextrin as a photosensitizer carrier: effect on photophysical properties and chemical reactivity of squaraine dyes | The journal of physical chemistry. B |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.115029749 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS