5-Amino-4-chloropyrimidine - CAS 54660-78-5
Catalog: |
BB028754 |
Product Name: |
5-Amino-4-chloropyrimidine |
CAS: |
54660-78-5 |
Synonyms: |
5-Pyrimidinamine, 4-chloro-; 4-Chloro-5-pyrimidinamine; Pyrimidine, 5-amino-4-chloro- |
IUPAC Name: | 4-chloropyrimidin-5-amine |
Molecular Weight: | 129.55 |
Molecular Formula: | C4H4ClN3 |
Canonical SMILES: | C1=C(C(=NC=N1)Cl)N |
InChI: | InChI=1S/C4H4ClN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2 |
InChI Key: | LHGMCUVJFRBVBH-UHFFFAOYSA-N |
Boiling Point: | 253.8±20.0°C at 760 mmHg |
Melting Point: | 110°C (dec.) |
Purity: | 95% |
Density: | 1.437±0.06 g/cm3 |
Appearance: | White to Pale Brown Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD06412561 |
LogP: | 1.29340 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3901152-A1 | Kv3 enhancers for the treatment of cognitive disorders | 20200423 |
WO-2021110890-A1 | Pyridinium derivatives as herbicides | 20191206 |
WO-2021055849-A1 | Headgroup lipid compounds and compositions for intracellular delivery of therapeutic agents | 20190919 |
WO-2020172932-A1 | Aniline wdr5 protein-protein interaction inhibitor, preparation method therefor and use thereof | 20190226 |
US-2019343838-A1 | Kras g12c inhibitors and methods of using the same | 20180504 |
Complexity: | 77.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.0093748 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.0093748 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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