Basic information
- CAS
17720-22-8- Standard SMILES
Nc1ncnc2nc(-c3ccccc3)[nH]c12- InChIKey
KFMQOHDPKOQCMU-UHFFFAOYSA-N- Molecular formula
- C11H9N5
- Average molar mass
- 211.22 g/mol
- Monoisotopic mass
- 211.08579531
Names & identifiers
- Preferred name
- 8-phenyl-9H-purin-6-amine
- IUPAC
- 8-phenyl-7H-purin-6-amine
- English name
- 8-Phenyl-9H-purine-6-amine
- Molecular weight
- 0
Names & synonyms
8-phenyl-9H-Purin-6-amineRefChem:548387896-633-217720-22-88-phenyl-7H-purin-6-amine8-Phenyl-9H-purine-6-amineCHEMBL65276MLS003115082NSC2117358-phenyl-7H-purin-6-ylamineSCHEMBL9175737SCHEMBL9175738
Show more names
8-Phenyladenine6-Amino-8-phenyl-9H-purine
SCHEMBL29459254DTXSID80309321SAA72022AH5015BDBM50228498EBC-551124NSC-211735SMR001830665
Database identifiers
- CAS
17720-22-8- PubChem CID
- 309461
- DTXSID
DTXSID80309321- ChEMBL
CHEMBL65276- EC Number
- 896-633-2
- Nikkaji
- J331.976H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
LogP2.31
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, 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%)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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