Isonipecotic acid - CAS 498-94-2
Catalog: |
BB026854 |
Product Name: |
Isonipecotic acid |
CAS: |
498-94-2 |
Synonyms: |
4-Piperidinecarboxylic acid; 4-Carboxypiperidine; Hexahydroisonicotinic acid; 4-Hexahydroisonicotinic acid; NSC 61049; H-Inp-OH; Isonipecotinic Acid |
IUPAC Name: | piperidine-4-carboxylic acid |
Description: | Isonipecotic acid is a GABAA receptor partial agonist. |
Molecular Weight: | 129.16 |
Molecular Formula: | C6H11NO2 |
Canonical SMILES: | C1CNCCC1C(=O)O |
InChI: | InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9) |
InChI Key: | SRJOCJYGOFTFLH-UHFFFAOYSA-N |
Boiling Point: | 265.8±33.0°C at 760 mmHg |
Melting Point: | >300°C |
Purity: | ≥95% |
Density: | 1.125 g/cm3 |
Solubility: | Soluble in Water |
Appearance: | White to Faint Pink-beige Powder |
Storage: | Store at RT |
MDL: | MFCD00006004 |
LogP: | 0.39940 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113185451-A | Memantine urea derivative and preparation method and application thereof | 20210428 |
CN-113117613-A | Functional supramolecular aerogel, preparation method and application thereof | 20210417 |
CN-113185510-A | Preparation method of alpha-vatripopa impurity | 20210412 |
CN-112479983-A | Wumei ammonium bromide intermediate and preparation method thereof | 20201125 |
CN-112028814-A | Method for preparing amine compound based on novel catalytic Curtius rearrangement reaction | 20200930 |
PMID | Publication Date | Title | Journal |
23020637 | 20121102 | Solid-phase synthesis of phenylalanine containing peptides using a traceless triazene linker | The Journal of organic chemistry |
22307260 | 20120201 | 4-Carboxypiperidinium 1-carboxycyclobutane-1-carboxylate | Acta crystallographica. Section C, Crystal structure communications |
21843937 | 20111001 | Synthesis and biological evaluation of 4-piperidinecarboxylate and 4-piperidinecyanide derivatives for T-type calcium channel blockers | Bioorganic & medicinal chemistry letters |
21402696 | 20110610 | Unique interaction pattern for a functionally biased ghrelin receptor agonist | The Journal of biological chemistry |
20691150 | 20110101 | Amino acid derivatives are substrates or non-transported inhibitors of the amino acid transporter PAT2 (slc36a2) | Biochimica et biophysica acta |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.078978594 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Piperidines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS