Basic information
- CAS
5176-91-0- Standard SMILES
Cc1nc(Cl)nc2c1ncn2C- InChIKey
IMESDNKNMQDHLR-UHFFFAOYSA-N- Molecular formula
- C7H7ClN4
- Average molar mass
- 182.61 g/mol
- Monoisotopic mass
- 182.0359239
Names & identifiers
- Preferred name
- 2-chloro-6,9-dimethyl-9H-purine
- IUPAC
- 2-chloro-6,9-dimethylpurine
Names & synonyms
2-Chloro-6,9-dimethyl-9H-purine5176-91-0RefChem:469500889-379-9SCHEMBL25876344IMESDNKNMQDHLR-UHFFFAOYSA-purine, 2-chloro-6,9-dimethyl-MFCD07440173AKOS000320516SY394236H57035EN300-2904004
Show more names
Z1198173393InChI=1/C7H7ClN4/c1-4-5-6(11-7(8)10-4)12(2)3-9-5/h3H,1-2H3
Database identifiers
- CAS
5176-91-0- PubChem CID
- 7147192
- EC Number
- 889-379-9
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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