5-Amino-1H-[1,2,4]-triazole-3-carboxylic acid methyl ester - CAS 3641-14-3
Catalog: |
BB022964 |
Product Name: |
5-Amino-1H-[1,2,4]-triazole-3-carboxylic acid methyl ester |
CAS: |
3641-14-3 |
Synonyms: |
methyl 3-amino-1H-1,2,4-triazole-5-carboxylate |
IUPAC Name: | methyl 3-amino-1H-1,2,4-triazole-5-carboxylate |
Description: | 5-Amino-1H-[1,2,4]-triazole-3-carboxylic acid methyl ester (CAS# 3641-14-3) is a useful research chemical. |
Molecular Weight: | 142.12 |
Molecular Formula: | C4H6N4O2 |
Canonical SMILES: | COC(=O)C1=NC(=NN1)N |
InChI: | InChI=1S/C4H6N4O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H3,5,6,7,8) |
InChI Key: | OSZNPKRMPBUQLB-UHFFFAOYSA-N |
Boiling Point: | 379 °C at 760 mmHg |
Melting Point: | 218-222 °C (lit.) |
Purity: | 95 % |
Density: | 1.505 g/cm3 |
MDL: | MFCD00297193 |
LogP: | -0.24530 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210084018-A | Etchant composition and method of manufacturing integrated circuit device using the same | 20191227 |
US-2021202264-A1 | Etchant compositions and methods of manufacturing integrated circuit devices using the same | 20191227 |
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 |
CN-110408048-A | Insensitive metal organic frame containing energy of one kind and preparation method thereof | 20190904 |
PMID | Publication Date | Title | Journal |
14758003 | 20040201 | Synthesis, structure and properties of N-acetylated derivatives of methyl 5-amino-1H-[1,2,4]triazole-3-carboxylate | Chemical & pharmaceutical bulletin |
11995987 | 20010101 | Acetylation of methyl 5-amino-1H-[1,2,4]triazole-3-carboxylate | Acta biochimica Polonica |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.04907545 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 93.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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