(5-Amino-1H-1,2,4-triazol-3-yl)acetic acid - CAS 143832-52-4
Catalog: |
BB009675 |
Product Name: |
(5-Amino-1H-1,2,4-triazol-3-yl)acetic acid |
CAS: |
143832-52-4 |
Synonyms: |
2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid |
IUPAC Name: | 2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid |
Description: | 5-Amino-(1H)-1,2,4-triazole-3-acetic Acid, can be used for the synthesis of different acylated 1,2,4-triazole-3-acetates with potential anti-inflammatory activity. |
Molecular Weight: | 142.12 |
Molecular Formula: | C4H6N4O2 |
Canonical SMILES: | C(C1=NC(=NN1)N)C(=O)O |
InChI: | InChI=1S/C4H6N4O2/c5-4-6-2(7-8-4)1-3(9)10/h1H2,(H,9,10)(H3,5,6,7,8) |
InChI Key: | ONMNOXQLJYNSKN-UHFFFAOYSA-N |
Boiling Point: | 546.9 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.693 g/cm3 |
MDL: | MFCD01100279 |
LogP: | -0.40480 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110679602-A | Application of alkaloid esramycin and derivatives thereof in resisting plant viruses | 20191101 |
CN-110679602-B | Application of alkaloid esramycin and derivatives thereof in resisting plant viruses | 20191101 |
US-10399996-B2 | Beta-lactamase inhibitors | 20150911 |
US-2017073360-A1 | Beta-lactamase inhibitors | 20150911 |
US-2020055877-A1 | Beta-lactamase inhibitors | 20150911 |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.04907545 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.04907545 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 105 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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