3-Amino-1,2,4-triazole-5-carboxylic acid hydrate - CAS 304655-78-5
Catalog: |
BB020602 |
Product Name: |
3-Amino-1,2,4-triazole-5-carboxylic acid hydrate |
CAS: |
304655-78-5 |
Synonyms: |
3-amino-1H-1,2,4-triazole-5-carboxylic acid;hydrate |
IUPAC Name: | 3-amino-1H-1,2,4-triazole-5-carboxylic acid;hydrate |
Description: | 3-Amino-1,2,4-triazole-5-carboxylic acid hydrate (CAS# 304655-78-5) is a useful research chemical. |
Molecular Weight: | 128.09 (anhydrous basis) |
Molecular Formula: | C3H4N4O2 · xH2O |
Canonical SMILES: | C1(=NC(=NN1)N)C(=O)O.O |
InChI: | InChI=1S/C3H4N4O2.H2O/c4-3-5-1(2(8)9)6-7-3;/h(H,8,9)(H3,4,5,6,7);1H2 |
InChI Key: | AGJCUQSNRFXRDU-UHFFFAOYSA-N |
Boiling Point: | 666.3 °C at 760 mmHg |
Melting Point: | 182 °C |
Purity: | 95 % |
Appearance: | White powder to off-white powder and/or chunks |
MDL: | MFCD00149595 |
LogP: | -0.39800 |
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 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
CA-2791015-A1 | Photovoltaic module with stabilized polymer | 20100319 |
AU-2011225903-A1 | Pyrimidine derivatives and their use in the treatment of respiratory diseases such as COPD | 20100312 |
AU-2011225903-B2 | Pyrimidine derivatives and their use in the treatment of respiratory diseases such as COPD | 20100312 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.04399007 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.04399007 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 106 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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