6-(3-Chloropropylamino)-1,3-dimethyluracil - CAS 34654-81-4
Catalog: |
BB022219 |
Product Name: |
6-(3-Chloropropylamino)-1,3-dimethyluracil |
CAS: |
34654-81-4 |
Synonyms: |
6-(3-chloropropylamino)-1,3-dimethylpyrimidine-2,4-dione; 6-(3-chloropropylamino)-1,3-dimethylpyrimidine-2,4-dione |
IUPAC Name: | 6-(3-chloropropylamino)-1,3-dimethylpyrimidine-2,4-dione |
Description: | An impurity of Urapidil. Urapidil is an α1-adrenoceptor antagonist and an 5-HT1A receptor agonist that is used as an antihypertensive agent. |
Molecular Weight: | 231.68 |
Molecular Formula: | C9H14ClN3O2 |
Canonical SMILES: | CN1C(=CC(=O)N(C1=O)C)NCCCCl |
InChI: | InChI=1S/C9H14ClN3O2/c1-12-7(11-5-3-4-10)6-8(14)13(2)9(12)15/h6,11H,3-5H2,1-2H3 |
InChI Key: | RPYBDDBZRQGARJ-UHFFFAOYSA-N |
Boiling Point: | 342.9 ℃ at 760 mmHg |
Density: | 1.29 g/cm3 |
LogP: | 0.19780 |
GHS Hazard Statement: | H302 (98.86%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-0805795-A1 | Novel aromatic amides, method for preparing and compositions containing same, and use thereof as pesticides | 19950126 |
EP-0796251-A1 | Uracil derivatives | 19941207 |
EP-0796251-B1 | Uracil derivatives | 19941207 |
JP-H10510253-A | Uracil derivatives | 19941207 |
US-6046329-A | Uracil derivatives | 19941207 |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.0774544 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.0774544 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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