Basic information
- CAS
1928-89-8- Standard SMILES
c1nc(N2CCCC2)c2[nH]cnc2n1- InChIKey
IQSRNEOAVVBNGN-UHFFFAOYSA-N- Molecular formula
- C9H11N5
- Average molar mass
- 189.22 g/mol
- Monoisotopic mass
- 189.10144535
Names & identifiers
- Preferred name
- 6-(pyrrolidin-1-yl)-9H-purine
- IUPAC
- 6-pyrrolidin-1-yl-7H-purine
Names & synonyms
6-(pyrrolidin-1-yl)-9H-purine1928-89-8DTXSID30353874RefChem:306940DTXCID803049376-pyrrolidin-1-yl-7H-purineMLS0000865536-(PYRROLIDIN-1-YL)-7H-PURINE1H-Purine, 6-(1-pyrrolidinyl)-SMR0000159766-Pyrrolidinopurine6-pyrrolidinylpurine
Show more names
6-pyrrolidino-7H-purineOprea1_359681Oprea1_624474MLS000101235REGID_for_CID_66062cid_756690IFLab1_002235orb3022573
Database identifiers
- CAS
1928-89-8- PubChem CID
- 756690
- DTXSID
DTXSID30353874- ChEMBL
CHEMBL1520028- EC Number
- 992-467-0
- Nikkaji
- J2.522.110I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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
2 records
Compound notes
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