9-cyclopropyl-9H-purin-6-amine
Basic information
- CAS
682730-88-7- Standard SMILES
Nc1ncnc2c1ncn2C1CC1- InChIKey
QKMZACGKMJHVSI-UHFFFAOYSA-N- Molecular formula
- C8H9N5
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.08579531
Names & identifiers
- Preferred name
- 9-cyclopropyl-9H-purin-6-amine
- IUPAC
- 9-cyclopropylpurin-6-amine
Names & synonyms
9-cyclopropyl-9H-purin-6-amine682730-88-7CHEMBL4694099-Cyclopropyl-9H-adenineSCHEMBL28984637BDBM50256998PD183422EN300-8135682
Database identifiers
- CAS
682730-88-7- PubChem CID
- 414708
- ChEMBL
CHEMBL469409- EC Number
- 177-406-0
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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