3-Amino-1H-1,2,4-triazol-5(4H)-one - CAS 1003-35-6
Catalog: |
BB000181 |
Product Name: |
3-Amino-1H-1,2,4-triazol-5(4H)-one |
CAS: |
1003-35-6 |
Synonyms: |
3-amino-1,4-dihydro-1,2,4-triazol-5-one; 3-amino-1,4-dihydro-1,2,4-triazol-5-one |
IUPAC Name: | 3-amino-1,4-dihydro-1,2,4-triazol-5-one |
Description: | 3-Amino-1H-1,2,4-triazol-5(4H)-one (CAS# 1003-35-6) is a useful research chemical. |
Molecular Weight: | 100.08 |
Molecular Formula: | C2H4N4O |
Canonical SMILES: | C1(=NNC(=O)N1)N |
InChI: | InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7) |
InChI Key: | XOHBRLLZSIGHDE-UHFFFAOYSA-N |
Boiling Point: | 548.1 ℃ at 760 mmHg |
Density: | 2.27 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, 2-8 ℃ |
LogP: | -0.73860 |
GHS Hazard Statement: | H302 (100%): 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-112408423-A | Method for preparing cyanamide from zero solid waste | 20201209 |
CN-110844920-A | Method for improving quality of cyanamide product | 20191223 |
CN-110921682-A | Purification method of cyanamide solution | 20191219 |
CN-110697734-A | Preparation method for continuously synthesizing phosphorus-free cyanamide | 20191129 |
CN-110697733-A | Method for producing high-purity solid cyanamide | 20191127 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 100.03851076 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 100.03851076 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 79.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.4 |
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