9-Boc-6-chloro-9H-purine - CAS 851165-38-3
Catalog: |
BB037484 |
Product Name: |
9-Boc-6-chloro-9H-purine |
CAS: |
851165-38-3 |
Synonyms: |
6-chloro-9-purinecarboxylic acid tert-butyl ester; tert-butyl 6-chloropurine-9-carboxylate |
IUPAC Name: | tert-butyl 6-chloropurine-9-carboxylate |
Description: | 9-Boc-6-chloro-9H-purine (CAS# 851165-38-3 ) is a useful research chemical. |
Molecular Weight: | 254.67 |
Molecular Formula: | C10H11ClN4O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=NC2=C1N=CN=C2Cl |
InChI: | InChI=1S/C10H11ClN4O2/c1-10(2,3)17-9(16)15-5-14-6-7(11)12-4-13-8(6)15/h4-5H,1-3H3 |
InChI Key: | MYJWAZOEDABXLW-UHFFFAOYSA-N |
LogP: | 2.26290 |
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 |
CA-2579302-A1 | 2-substituted-6-trifluoromethyl purine derivatives with adenosine-a3 antagonistic activity | 20040909 |
EP-1797092-A1 | 2-substituted-6-trifluoromethyl purine derivatives with adenosine-a3 antagonistic activity | 20040909 |
US-2006052331-A1 | 2-Substituted-6-trifluoromethyl purine derivatives with adenosine-A3 antagonistic activity | 20040909 |
US-7371737-B2 | 2-substituted-6-trifluoromethyl purine derivatives with adenosine-A3 antagonistic activity | 20040909 |
WO-2006027365-A1 | 2-substituted-6-trifluoromethyl purine derivatives with adenosine-a3 antagonistic activity | 20040909 |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.0570533 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.0570533 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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