2-Amino-4-chloropyrimidine - CAS 3993-78-0
Catalog: |
BB024211 |
Product Name: |
2-Amino-4-chloropyrimidine |
CAS: |
3993-78-0 |
Synonyms: |
4-chloropyrimidin-2-amine |
IUPAC Name: | 4-chloropyrimidin-2-amine |
Description: | 2-Amino-4-chloropyrimidine (CAS# 3993-78-0) is a compound useful in organic synthesis. |
Molecular Weight: | 129.55 |
Molecular Formula: | C4H4ClN3 |
Canonical SMILES: | C1=CN=C(N=C1Cl)N |
InChI: | InChI=1S/C4H4ClN3/c5-3-1-2-7-4(6)8-3/h1-2H,(H2,6,7,8) |
InChI Key: | DBGFGNCFYUNXLD-UHFFFAOYSA-N |
Boiling Point: | 314.6 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.437 g/cm3 |
MDL: | MFCD00038021 |
LogP: | 1.29340 |
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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
11960502 | 20020425 | 6-[2-(Phosphonomethoxy)alkoxy]pyrimidines with antiviral activity | Journal of medicinal chemistry |
11456828 | 20010307 | Hydrogen-bond mediated catalysis: the aminolysis of 6-chloropyrimidine as catalyzed by derivatives of uracil | Journal of the American Chemical Society |
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: | 0.8 |
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