Basic information
- CAS
13364-95-9- Standard SMILES
CNc1nc(N)c2ncn(C3OC(CO)C(O)C3O)c2n1- InChIKey
UZWXAPMSNDKDNK-UHFFFAOYSA-N- Molecular formula
- C11H16N6O4
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.12330301
Names & identifiers
- Preferred name
- 9H-purine, 6-amino-2-(methylamino)-9-beta-d-ribofuranosyl-
- IUPAC
- 2-[6-amino-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- NSC 36898
- Molecular formula
- C11H16N6O4
- Molecular weight
- 296.28
Names & synonyms
9H-purine, 6-amino-2-(methylamino)-9-beta-d-ribofuranosyl-RefChem:549974806-740-8DTXSID00928230NSC36898NSC-36898DS-0042562-(Methylimino)-9-pentofuranosyl-2,9-dihydro-1H-purin-6-amineNSC 36898Regadenoson Impurity 452-(Methylamino)adenosineAdenosine, 2-(methylamino)-
Show more names
6-Amino-2-(methylamino)-9-beta-D-ribofuranosyl-9H-purine
Database identifiers
- CAS
13364-95-9- PubChem CID
- 235482
- DTXSID
DTXSID00928230- EC Number
- 806-740-8
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 722.3 · 722.3±70.0 °C(Predicted)
- Density
- 2 · 2.00±0.1 g/cm3(Predicted)
- pka
- 13.11 · 13.11±0.70(Predicted)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 361 · H361
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501
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
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, 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 CategoriesRepr. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H361
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Suppliers6 total
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Additional notes
DefinitionChEBI: 2-Methylaminoadenosine is a purine nucleoside.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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